 (Enter /mnt/data/applications/G09/g09/l914.exe)
 UHF ground state
 MDV=  4697620480 DFT=T DoStab=F Mixed=T DoRPA=T DoScal=F NonHer=T
 Would need an additional        257993400000 words for in-memory AO integral storage.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=   8.9300, EpsInf=   2.0283)
 Inv3:  Mode=1 IEnd=    66665388.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   3872.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.22D-15 for   3872    963.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.04D-14 for   2308.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.39D-11 for   3943   3928.
 Making orbital integer symmetry assigments:
 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 Beta  Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
   200 initial guesses have been made.
 Convergence on wavefunction:    0.001000000000000
 Davidson Disk Diagonalization:  ConvIn= 1.00D-03 SkipCon=T Conv= 1.00D-03.
 Max sub-space:   800 roots to seek:   200 dimension of matrix:       159322
 Iteration     1 Dimension   200 NMult     0 NNew    200
 CISAX will form   100 AO SS matrices at one time.
 NMat=   100 NSing=   100 JSym2X= 0.
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat= 200 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 Defaulting to unpruned grid for atomic number  79.
 NMat=   100 NSing=   100 JSym2X= 0.
 New state      1 was old state      6
 New state      2 was old state      3
 New state      3 was old state      8
 New state      4 was old state      1
 New state      5 was old state      2
 New state      6 was old state     13
 New state      7 was old state     42
 New state      8 was old state      5
 New state      9 was old state      4
 New state     10 was old state     11
 New state     11 was old state      9
 New state     12 was old state      7
 New state     13 was old state     12
 New state     14 was old state     10
 New state     15 was old state     23
 New state     16 was old state     27
 New state     18 was old state     15
 New state     19 was old state     14
 New state     20 was old state     18
 New state     21 was old state     16
 New state     22 was old state     53
 New state     23 was old state     25
 New state     24 was old state     26
 New state     25 was old state     20
 New state     26 was old state     30
 New state     27 was old state     19
 New state     28 was old state     24
 New state     29 was old state     34
 New state     30 was old state     21
 New state     31 was old state     43
 New state     32 was old state     31
 New state     33 was old state     22
 New state     34 was old state     38
 New state     35 was old state     57
 New state     37 was old state     32
 New state     38 was old state     28
 New state     39 was old state     40
 New state     40 was old state     46
 New state     41 was old state     48
 New state     42 was old state     37
 New state     43 was old state     47
 New state     45 was old state     33
 New state     46 was old state     52
 New state     47 was old state     58
 New state     48 was old state     49
 New state     49 was old state     35
 New state     50 was old state     89
 Excitation Energies [eV] at current iteration:
 Root      1 :     1.698222597503201
 Root      2 :     2.039385463220588
 Root      3 :     2.154167362613159
 Root      4 :     2.408756328944682
 Root      5 :     2.557339586796621
 Root      6 :     2.662844368223765
 Root      7 :     2.839165276914222
 Root      8 :     3.027854653719682
 Root      9 :     3.094958768448628
 Root     10 :     3.127952928574127
 Root     11 :     3.225072600103135
 Root     12 :     3.290411377706352
 Root     13 :     3.436000361942708
 Root     14 :     3.447122290581786
 Root     15 :     3.471173947546243
 Root     16 :     3.508188997113029
 Root     17 :     3.558039941899334
 Root     18 :     3.602525423349876
 Root     19 :     3.696670699813906
 Root     20 :     3.729990207685000
 Root     21 :     3.741953335470816
 Root     22 :     3.757778698083710
 Root     23 :     3.782884073426459
 Root     24 :     3.858738881143527
 Root     25 :     3.875535204048367
 Root     26 :     3.977305036794535
 Root     27 :     4.020062487222887
 Root     28 :     4.027632258627397
 Root     29 :     4.044443840845783
 Root     30 :     4.082429140461368
 Root     31 :     4.109584906430347
 Root     32 :     4.114098406081970
 Root     33 :     4.148788732762100
 Root     34 :     4.160473250010496
 Root     35 :     4.176183095062797
 Root     36 :     4.180130639757497
 Root     37 :     4.203124602703257
 Root     38 :     4.237438671301560
 Root     39 :     4.256248672244479
 Root     40 :     4.290073706223322
 Root     41 :     4.311017059816758
 Root     42 :     4.324776671851028
 Root     43 :     4.336486660012382
 Root     44 :     4.342107078294479
 Root     45 :     4.360185641339784
 Root     46 :     4.371685814816339
 Root     47 :     4.392402509980859
 Root     48 :     4.396908551953737
 Root     49 :     4.436007932889845
 Root     50 :     4.438393528113204
 Root     51 :     4.471836795447318
 Root     52 :     4.494551047452335
 Root     53 :     4.502298592908499
 Root     54 :     4.510503435925183
 Root     55 :     4.519631281895255
 Root     56 :     4.524543314630235
 Root     57 :     4.540173958697199
 Root     58 :     4.575654670270917
 Root     59 :     4.594101048790425
 Root     60 :     4.612703064544124
 Root     61 :     4.629655328738067
 Root     62 :     4.637213545867072
 Root     63 :     4.645404328523752
 Root     64 :     4.648172945294091
 Root     65 :     4.655627204139831
 Root     66 :     4.669379181227269
 Root     67 :     4.684402442704433
 Root     68 :     4.717389359885455
 Root     69 :     4.728350891690188
 Root     70 :     4.754695804534078
 Root     71 :     4.765375485564181
 Root     72 :     4.793556129145072
 Root     73 :     4.804213509456421
 Root     74 :     4.811108181900901
 Root     75 :     4.816985663919213
 Root     76 :     4.820282113280725
 Root     77 :     4.836395647331212
 Root     78 :     4.849752408208378
 Root     79 :     4.873974793900115
 Root     80 :     4.914631288322395
 Root     81 :     4.926271278997357
 Root     82 :     4.931969121952709
 Root     83 :     4.963693117187074
 Root     84 :     4.967303702324519
 Root     85 :     4.974356112578830
 Root     86 :     4.984206675406818
 Root     87 :     4.988777257707550
 Root     88 :     5.010266643991255
 Root     89 :     5.020880500227324
 Root     90 :     5.025750625321722
 Root     91 :     5.031382126538944
 Root     92 :     5.047983357949477
 Root     93 :     5.064877610137847
 Root     94 :     5.080007443292884
 Root     95 :     5.099249065370544
 Root     96 :     5.114678384839324
 Root     97 :     5.129446338163669
 Root     98 :     5.139814011496986
 Root     99 :     5.160688642506681
 Root    100 :     5.166955646392516
 Root    101 :     5.174942478635968
 Root    102 :     5.176666219538002
 Root    103 :     5.192636558067654
 Root    104 :     5.198827505916959
 Root    105 :     5.217796555793901
 Root    106 :     5.227394935915610
 Root    107 :     5.231739289162913
 Root    108 :     5.248457849465543
 Root    109 :     5.256462727420275
 Root    110 :     5.269058945791439
 Root    111 :     5.272597641024891
 Root    112 :     5.290212768138224
 Root    113 :     5.303959073959340
 Root    114 :     5.306343919442161
 Root    115 :     5.312894216282858
 Root    116 :     5.325196688331850
 Root    117 :     5.330374009660134
 Root    118 :     5.334964481796516
 Root    119 :     5.338053824445932
 Root    120 :     5.350460168549946
 Root    121 :     5.357015924505363
 Root    122 :     5.366669438684526
 Root    123 :     5.377557851843045
 Root    124 :     5.382509135559359
 Root    125 :     5.393796019414074
 Root    126 :     5.395374247393693
 Root    127 :     5.397887099723761
 Root    128 :     5.406939370648313
 Root    129 :     5.436632129119626
 Root    130 :     5.439377516081494
 Root    131 :     5.440388840271984
 Root    132 :     5.458173872318216
 Root    133 :     5.480601369104372
 Root    134 :     5.497301033410966
 Root    135 :     5.505009610866581
 Root    136 :     5.509215229774991
 Root    137 :     5.517441628728250
 Root    138 :     5.524342013261472
 Root    139 :     5.533980214896994
 Root    140 :     5.534384022960552
 Root    141 :     5.542461999606800
 Root    142 :     5.560517055544868
 Root    143 :     5.575486622977235
 Root    144 :     5.582826110946179
 Root    145 :     5.594307366137023
 Root    146 :     5.596165041741759
 Root    147 :     5.609890261107077
 Root    148 :     5.611393944066057
 Root    149 :     5.623995928385980
 Root    150 :     5.633282443813924
 Root    151 :     5.640317893345371
 Root    152 :     5.651330158648819
 Root    153 :     5.658506491107664
 Root    154 :     5.682345299367369
 Root    155 :     5.686300148117159
 Root    156 :     5.718794725907852
 Root    157 :     5.723204358672398
 Root    158 :     5.727950943359112
 Root    159 :     5.733990721520351
 Root    160 :     5.744224867387612
 Root    161 :     5.746436675446050
 Root    162 :     5.755435272004974
 Root    163 :     5.757123189461229
 Root    164 :     5.768097921709986
 Root    165 :     5.794573144906363
 Root    166 :     5.801771133013079
 Root    167 :     5.823721765983326
 Root    168 :     5.827503940221678
 Root    169 :     5.834759573077256
 Root    170 :     5.849274159389538
 Root    171 :     5.854889809867355
 Root    172 :     5.857648783105823
 Root    173 :     5.868233693757191
 Root    174 :     5.881929545622043
 Root    175 :     5.887508965658689
 Root    176 :     5.899192363475405
 Root    177 :     5.902852164309951
 Root    178 :     5.922886200587894
 Root    179 :     5.925556174197846
 Root    180 :     5.935506822650142
 Root    181 :     5.944036116270731
 Root    182 :     5.951363152114387
 Root    183 :     5.961043610466649
 Root    184 :     5.970734268829741
 Root    185 :     5.982378157699227
 Root    186 :     5.987787511240131
 Root    187 :     6.006701994864476
 Root    188 :     6.013278751317531
 Root    189 :     6.043270680063912
 Root    190 :     6.053181195266899
 Root    191 :     6.065994418047125
 Root    192 :     6.173045308275277
 Root    193 :     6.334277509475177
 Root    194 :     6.417633955643922
 Root    195 :     6.521098269435538
 Root    196 :     6.567759363385346
 Root    197 :     6.823146433908592
 Root    198 :     7.079873422610646
 Root    199 :     7.127598569292202
 Root    200 :     7.366950097287249
 Iteration     2 Dimension   300 NMult   200 NNew    100
 CISAX will form   100 AO SS matrices at one time.
 NMat=   100 NSing=   100 JSym2X= 0.
 Root      1 not converged, maximum delta is    0.235609326541393
 Root      2 not converged, maximum delta is    0.381931779980961
 Root      3 not converged, maximum delta is    0.310536986625359
 New state      4 was old state      5
 Root      4 not converged, maximum delta is    0.389887328308496
 New state      5 was old state      4
 Root      5 not converged, maximum delta is    0.257726025953916
 Root      6 not converged, maximum delta is    0.487862006990450
 Root      7 not converged, maximum delta is    0.280568525212290
 Root      8 not converged, maximum delta is    0.299377518519300
 New state      9 was old state     10
 Root      9 not converged, maximum delta is    0.348591655809918
 New state     10 was old state      9
 Root     10 not converged, maximum delta is    0.215825356446131
 New state     11 was old state     15
 Root     11 not converged, maximum delta is    0.380898178844184
 New state     12 was old state     11
 Root     12 not converged, maximum delta is    0.485479606366432
 New state     13 was old state     22
 Root     13 not converged, maximum delta is    0.626981021463093
 New state     14 was old state     12
 Root     14 not converged, maximum delta is    0.230844256361434
 New state     15 was old state     13
 Root     15 not converged, maximum delta is    0.391085710826225
 Root     16 not converged, maximum delta is    0.243003737818591
 New state     17 was old state     14
 Root     17 not converged, maximum delta is    0.290974393541876
 New state     18 was old state     17
 Root     18 not converged, maximum delta is    0.292782804972418
 New state     19 was old state     18
 Root     19 not converged, maximum delta is    0.340550558463412
 Root     20 not converged, maximum delta is    0.417682752998226
 New state     21 was old state     19
 Root     21 not converged, maximum delta is    0.187960213246852
 New state     22 was old state     24
 Root     22 not converged, maximum delta is    0.413018268818888
 New state     23 was old state     35
 Root     23 not converged, maximum delta is    0.283073897194308
 New state     24 was old state     21
 Root     24 not converged, maximum delta is    0.327773460477507
 New state     25 was old state     23
 Root     25 not converged, maximum delta is    0.138732845264741
 No map to state     26
 New state     27 was old state     25
 Root     27 not converged, maximum delta is    0.081572778572860
 New state     28 was old state     26
 Root     28 not converged, maximum delta is    0.182574938627284
 New state     29 was old state     39
 Root     29 not converged, maximum delta is    0.484252660407841
 New state     30 was old state     27
 Root     30 not converged, maximum delta is    0.253661576410683
 New state     31 was old state     33
 Root     31 not converged, maximum delta is    0.355961286286192
 New state     32 was old state     29
 Root     32 not converged, maximum delta is    0.480023430669565
 New state     33 was old state     28
 Root     33 not converged, maximum delta is    0.219984978553938
 New state     34 was old state     30
 Root     34 not converged, maximum delta is    0.434312221647928
 New state     35 was old state     32
 Root     35 not converged, maximum delta is    0.481051710628028
 New state     36 was old state     31
 Root     36 not converged, maximum delta is    0.392234131569883
 New state     37 was old state     34
 Root     37 not converged, maximum delta is    0.706411337480391
 New state     38 was old state     36
 Root     38 not converged, maximum delta is    0.367849949762802
 New state     39 was old state     44
 Root     39 not converged, maximum delta is    0.394012508935083
 New state     40 was old state     37
 Root     40 not converged, maximum delta is    0.468141538481404
 New state     41 was old state     47
 Root     41 not converged, maximum delta is    0.557237738350595
 New state     42 was old state     38
 Root     42 not converged, maximum delta is    0.363557208872782
 New state     43 was old state     41
 Root     43 not converged, maximum delta is    0.559519097435660
 New state     44 was old state     40
 Root     44 not converged, maximum delta is    0.613800261778489
 Root     45 not converged, maximum delta is    0.529287812983970
 New state     46 was old state     43
 Root     46 not converged, maximum delta is    0.520264151241658
 New state     47 was old state     46
 Root     47 not converged, maximum delta is    0.589690577838604
 New state     48 was old state     42
 Root     48 not converged, maximum delta is    0.533050445550329
 No map to state     49
 New state     50 was old state     48
 Root     50 not converged, maximum delta is    0.316165418139140
 Excitation Energies [eV] at current iteration:
 Root      1 :     1.290348870996887   Change is   -0.407873726506315
 Root      2 :     1.498422524571676   Change is   -0.540962938648911
 Root      3 :     1.650857658081450   Change is   -0.503309704531709
 Root      4 :     1.998974002754097   Change is   -0.558365584042525
 Root      5 :     2.348568387372085   Change is   -0.060187941572596
 Root      6 :     2.487951571291477   Change is   -0.174892796932288
 Root      7 :     2.701440282383460   Change is   -0.137724994530762
 Root      8 :     2.918326791234489   Change is   -0.109527862485193
 Root      9 :     3.046230754315955   Change is   -0.081722174258172
 Root     10 :     3.070192703514419   Change is   -0.024766064934209
 Root     11 :     3.147078857856985   Change is   -0.324095089689258
 Root     12 :     3.164837484952537   Change is   -0.060235115150597
 Root     13 :     3.225612999215879   Change is   -0.532165698867831
 Root     14 :     3.279066923560659   Change is   -0.011344454145693
 Root     15 :     3.336517295205777   Change is   -0.099483066736931
 Root     16 :     3.405943378405960   Change is   -0.102245618707069
 Root     17 :     3.446599704813954   Change is   -0.000522585767832
 Root     18 :     3.516126833057010   Change is   -0.041913108842324
 Root     19 :     3.545250991292387   Change is   -0.057274432057490
 Root     20 :     3.599004261172780   Change is   -0.130985946512221
 Root     21 :     3.686500890062498   Change is   -0.010169809751407
 Root     22 :     3.700865301042884   Change is   -0.157873580100643
 Root     23 :     3.714533922218510   Change is   -0.461649172844286
 Root     24 :     3.734961386768944   Change is   -0.006991948701871
 Root     25 :     3.748057155576944   Change is   -0.034826917849515
 Root     26 :     3.834973966004307
 Root     27 :     3.851186020138343   Change is   -0.024349183910024
 Root     28 :     3.940855750079356   Change is   -0.036449286715179
 Root     29 :     3.950859759559145   Change is   -0.305388912685335
 Root     30 :     3.989455546113474   Change is   -0.030606941109414
 Root     31 :     4.012442799611040   Change is   -0.136345933151060
 Root     32 :     4.019295269308302   Change is   -0.025148571537480
 Root     33 :     4.024871029881953   Change is   -0.002761228745444
 Root     34 :     4.041376294298887   Change is   -0.041052846162481
 Root     35 :     4.070385994412749   Change is   -0.043712411669221
 Root     36 :     4.092168514654999   Change is   -0.017416391775348
 Root     37 :     4.115450482298995   Change is   -0.045022767711500
 Root     38 :     4.142350587279834   Change is   -0.037780052477663
 Root     39 :     4.157307862863791   Change is   -0.184799215430687
 Root     40 :     4.189142341835076   Change is   -0.013982260868181
 Root     41 :     4.209475321466705   Change is   -0.182927188514153
 Root     42 :     4.213435884754489   Change is   -0.024002786547071
 Root     43 :     4.231150190919908   Change is   -0.079866868896851
 Root     44 :     4.240405329047572   Change is   -0.049668377175749
 Root     45 :     4.254353238580588   Change is   -0.105832402759196
 Root     46 :     4.278144079748101   Change is   -0.058342580264281
 Root     47 :     4.292546274295269   Change is   -0.079139540521070
 Root     48 :     4.325924265896911   Change is    0.001147594045883
 Root     49 :     4.328334661510561
 Root     50 :     4.336060843140816   Change is   -0.060847708812921
 Iteration     3 Dimension   400 NMult   300 NNew    100
 CISAX will form   100 AO SS matrices at one time.
 NMat=   100 NSing=   100 JSym2X= 0.
 Root      1 not converged, maximum delta is    0.027841448181298
 Root      2 not converged, maximum delta is    0.021918483618813
 Root      3 not converged, maximum delta is    0.027539533554369
 Root      4 not converged, maximum delta is    0.054594731370491
 Root      5 not converged, maximum delta is    0.009464342812327
 Root      6 not converged, maximum delta is    0.013908284499389
 Root      7 not converged, maximum delta is    0.011606166831342
 Root      8 not converged, maximum delta is    0.019924632112091
 Root      9 not converged, maximum delta is    0.032895970577542
 Root     10 not converged, maximum delta is    0.090799727014816
 Root     11 not converged, maximum delta is    0.146776875437869
 Root     12 not converged, maximum delta is    0.175543311568605
 Root     13 not converged, maximum delta is    0.132387429053523
 Root     14 not converged, maximum delta is    0.074297865375432
 Root     15 not converged, maximum delta is    0.073155803971604
 Root     16 not converged, maximum delta is    0.019277870326691
 Root     17 not converged, maximum delta is    0.017947511547175
 Root     18 not converged, maximum delta is    0.091860954006506
 Root     19 not converged, maximum delta is    0.178375765702173
 Root     20 not converged, maximum delta is    0.311548419854973
 New state     21 was old state     22
 Root     21 not converged, maximum delta is    0.325437361412218
 New state     22 was old state     23
 Root     22 not converged, maximum delta is    0.307188906180985
 New state     23 was old state     21
 Root     23 not converged, maximum delta is    0.150386065031976
 Root     24 not converged, maximum delta is    0.182094917025069
 Root     25 not converged, maximum delta is    0.170664614911594
 Root     26 not converged, maximum delta is    0.085892553804660
 Root     27 not converged, maximum delta is    0.076568361878693
 New state     28 was old state     29
 Root     28 not converged, maximum delta is    0.387268729810631
 New state     29 was old state     28
 Root     29 not converged, maximum delta is    0.176163747902299
 Root     30 not converged, maximum delta is    0.114366785931381
 Root     31 not converged, maximum delta is    0.163193092783658
 Root     32 not converged, maximum delta is    0.081680273557177
 Root     33 not converged, maximum delta is    0.055097244079876
 Root     34 not converged, maximum delta is    0.110577353032475
 Root     35 not converged, maximum delta is    0.375704461606137
 Root     36 not converged, maximum delta is    0.449469627295189
 New state     37 was old state     38
 Root     37 not converged, maximum delta is    0.508724361234886
 New state     38 was old state     37
 Root     38 not converged, maximum delta is    0.373350227954547
 Root     39 not converged, maximum delta is    0.365037332243784
 Root     40 not converged, maximum delta is    0.489429450623234
 New state     41 was old state     44
 Root     41 not converged, maximum delta is    0.482459607700895
 Root     42 not converged, maximum delta is    0.368124250202549
 New state     43 was old state     45
 Root     43 not converged, maximum delta is    0.333680610645607
 New state     44 was old state     41
 Root     44 not converged, maximum delta is    0.421298623555080
 New state     45 was old state     43
 Root     45 not converged, maximum delta is    0.253469786429481
 Root     46 not converged, maximum delta is    0.483541300488538
 Root     47 not converged, maximum delta is    0.486395267649218
 New state     48 was old state     50
 Root     48 not converged, maximum delta is    0.507903999703098
 New state     49 was old state     48
 Root     49 not converged, maximum delta is    0.436439957602666
 New state     50 was old state     49
 Root     50 not converged, maximum delta is    0.155992218241788
 Excitation Energies [eV] at current iteration:
 Root      1 :     1.261128900678717   Change is   -0.029219970318170
 Root      2 :     1.465225966392444   Change is   -0.033196558179233
 Root      3 :     1.628112469769829   Change is   -0.022745188311621
 Root      4 :     1.938027823023700   Change is   -0.060946179730396
 Root      5 :     2.345739199054531   Change is   -0.002829188317555
 Root      6 :     2.481379437188840   Change is   -0.006572134102637
 Root      7 :     2.697171597467785   Change is   -0.004268684915676
 Root      8 :     2.905390726311916   Change is   -0.012936064922573
 Root      9 :     3.042819206865312   Change is   -0.003411547450643
 Root     10 :     3.061071342917725   Change is   -0.009121360596694
 Root     11 :     3.122818434113120   Change is   -0.024260423743865
 Root     12 :     3.148450591918218   Change is   -0.016386893034319
 Root     13 :     3.200678568557182   Change is   -0.024934430658697
 Root     14 :     3.275149139624656   Change is   -0.003917783936004
 Root     15 :     3.327949065164058   Change is   -0.008568230041719
 Root     16 :     3.400783247733654   Change is   -0.005160130672306
 Root     17 :     3.446068888672674   Change is   -0.000530816141280
 Root     18 :     3.512173783448100   Change is   -0.003953049608910
 Root     19 :     3.524948306613312   Change is   -0.020302684679074
 Root     20 :     3.568750427646762   Change is   -0.030253833526017
 Root     21 :     3.610878211689473   Change is   -0.089987089353411
 Root     22 :     3.645035461662321   Change is   -0.069498460556189
 Root     23 :     3.688007584308909   Change is    0.001506694246410
 Root     24 :     3.732817398890556   Change is   -0.002143987878389
 Root     25 :     3.743478754415243   Change is   -0.004578401161701
 Root     26 :     3.823355728639911   Change is   -0.011618237364397
 Root     27 :     3.848389688239718   Change is   -0.002796331898625
 Root     28 :     3.909166597069642   Change is   -0.041693162489503
 Root     29 :     3.938921893542330   Change is   -0.001933856537026
 Root     30 :     3.984313943185691   Change is   -0.005141602927783
 Root     31 :     3.997054642147069   Change is   -0.015388157463970
 Root     32 :     4.012988565629704   Change is   -0.006306703678598
 Root     33 :     4.024036903099997   Change is   -0.000834126781956
 Root     34 :     4.035495781936992   Change is   -0.005880512361895
 Root     35 :     4.051725071473032   Change is   -0.018660922939717
 Root     36 :     4.070537102207737   Change is   -0.021631412447261
 Root     37 :     4.092050170941559   Change is   -0.050300416338275
 Root     38 :     4.104210608636393   Change is   -0.011239873662602
 Root     39 :     4.118002475146049   Change is   -0.039305387717742
 Root     40 :     4.145994116842396   Change is   -0.043148224992680
 Root     41 :     4.170153087983670   Change is   -0.070252241063903
 Root     42 :     4.183782004158956   Change is   -0.029653880595533
 Root     43 :     4.202923502495336   Change is   -0.051429736085252
 Root     44 :     4.214214707060801   Change is    0.004739385594096
 Root     45 :     4.223671238854984   Change is   -0.007478952064924
 Root     46 :     4.257711549578826   Change is   -0.020432530169275
 Root     47 :     4.277292717527681   Change is   -0.015253556767588
 Root     48 :     4.294837974088949   Change is   -0.041222869051867
 Root     49 :     4.316090503469440   Change is   -0.009833762427471
 Root     50 :     4.325172618259129   Change is   -0.003162043251433
 Iteration     4 Dimension   500 NMult   400 NNew    100
 CISAX will form   100 AO SS matrices at one time.
 NMat=   100 NSing=   100 JSym2X= 0.
 Root      1 has converged.
 Root      2 not converged, maximum delta is    0.001327699911474
 Root      3 not converged, maximum delta is    0.001282661556722
 Root      4 not converged, maximum delta is    0.001725200152191
 Root      5 has converged.
 Root      6 has converged.
 Root      7 has converged.
 Root      8 not converged, maximum delta is    0.001347376678306
 Root      9 not converged, maximum delta is    0.001569708447642
 Root     10 not converged, maximum delta is    0.002639144592895
 Root     11 not converged, maximum delta is    0.006216455161466
 Root     12 not converged, maximum delta is    0.007753874413575
 Root     13 not converged, maximum delta is    0.003233523230697
 Root     14 not converged, maximum delta is    0.002912903004424
 Root     15 not converged, maximum delta is    0.002705711547665
 Root     16 has converged.
 Root     17 has converged.
 Root     18 not converged, maximum delta is    0.006719359570187
 Root     19 not converged, maximum delta is    0.011738652518200
 Root     20 not converged, maximum delta is    0.006514104601835
 Root     21 not converged, maximum delta is    0.007120091773001
 Root     22 not converged, maximum delta is    0.010170910412296
 Root     23 not converged, maximum delta is    0.005233982977644
 Root     24 not converged, maximum delta is    0.013972198303633
 Root     25 not converged, maximum delta is    0.014237812961505
 Root     26 not converged, maximum delta is    0.006670589632407
 Root     27 not converged, maximum delta is    0.001795582001896
 Root     28 not converged, maximum delta is    0.008980506749047
 Root     29 not converged, maximum delta is    0.006632405230249
 Root     30 not converged, maximum delta is    0.028380451170670
 Root     31 not converged, maximum delta is    0.027973993124789
 Root     32 not converged, maximum delta is    0.033487584516319
 Root     33 not converged, maximum delta is    0.033720496869869
 Root     34 not converged, maximum delta is    0.153444668220416
 Root     35 not converged, maximum delta is    0.220641247524928
 Root     36 not converged, maximum delta is    0.129157849844632
 Root     37 not converged, maximum delta is    0.154462282523742
 Root     38 not converged, maximum delta is    0.143153460231055
 Root     39 not converged, maximum delta is    0.146873614229952
 Root     40 not converged, maximum delta is    0.024801029163260
 Root     41 not converged, maximum delta is    0.028036444882582
 Root     42 not converged, maximum delta is    0.039809627224347
 Root     43 not converged, maximum delta is    0.017657371290699
 Root     44 not converged, maximum delta is    0.015397882669090
 Root     45 not converged, maximum delta is    0.033948879511172
 Root     46 not converged, maximum delta is    0.028947911303103
 Root     47 not converged, maximum delta is    0.027450989122150
 Root     48 not converged, maximum delta is    0.024036432365363
 Root     49 not converged, maximum delta is    0.162158554231454
 Root     50 not converged, maximum delta is    0.418761695405099
 Excitation Energies [eV] at current iteration:
 Root      1 :     1.260613925252764   Change is   -0.000514975425953
 Root      2 :     1.464270696921273   Change is   -0.000955269471171
 Root      3 :     1.627388966572034   Change is   -0.000723503197794
 Root      4 :     1.936660139477943   Change is   -0.001367683545757
 Root      5 :     2.345631559963289   Change is   -0.000107639091242
 Root      6 :     2.481099543694391   Change is   -0.000279893494449
 Root      7 :     2.697020837765893   Change is   -0.000150759701892
 Root      8 :     2.904807296103560   Change is   -0.000583430208357
 Root      9 :     3.042652040268716   Change is   -0.000167166596596
 Root     10 :     3.060755983998574   Change is   -0.000315358919152
 Root     11 :     3.121481731057946   Change is   -0.001336703055174
 Root     12 :     3.147909582645313   Change is   -0.000541009272905
 Root     13 :     3.200097056655523   Change is   -0.000581511901659
 Root     14 :     3.274968255879708   Change is   -0.000180883744947
 Root     15 :     3.327635478278429   Change is   -0.000313586885629
 Root     16 :     3.400518312240770   Change is   -0.000264935492884
 Root     17 :     3.446043881697531   Change is   -0.000025006975143
 Root     18 :     3.511921793856990   Change is   -0.000251989591111
 Root     19 :     3.524089931408048   Change is   -0.000858375205264
 Root     20 :     3.567050681711862   Change is   -0.001699745934900
 Root     21 :     3.609655657859858   Change is   -0.001222553829615
 Root     22 :     3.640651235057923   Change is   -0.004384226604399
 Root     23 :     3.687821192810969   Change is   -0.000186391497940
 Root     24 :     3.732656779129897   Change is   -0.000160619760659
 Root     25 :     3.743106961878472   Change is   -0.000371792536771
 Root     26 :     3.822576836920814   Change is   -0.000778891719097
 Root     27 :     3.848236352465538   Change is   -0.000153335774180
 Root     28 :     3.905989958127386   Change is   -0.003176638942255
 Root     29 :     3.938254321688302   Change is   -0.000667571854028
 Root     30 :     3.983515784461573   Change is   -0.000798158724118
 Root     31 :     3.995212434806515   Change is   -0.001842207340554
 Root     32 :     4.012239298639063   Change is   -0.000749266990641
 Root     33 :     4.023894964629180   Change is   -0.000141938470818
 Root     34 :     4.030912618481162   Change is   -0.004583163455830
 Root     35 :     4.045783316509445   Change is   -0.005941754963587
 Root     36 :     4.065427223253618   Change is   -0.005109878954119
 Root     37 :     4.085525889137659   Change is   -0.006524281803900
 Root     38 :     4.099861032814969   Change is   -0.004349575821424
 Root     39 :     4.113181270946805   Change is   -0.004821204199244
 Root     40 :     4.145139888860353   Change is   -0.000854227982043
 Root     41 :     4.167689477472512   Change is   -0.002463610511159
 Root     42 :     4.180403559396403   Change is   -0.003378444762552
 Root     43 :     4.201641395610631   Change is   -0.001282106884705
 Root     44 :     4.213777358586843   Change is   -0.000437348473957
 Root     45 :     4.222430512100200   Change is   -0.001240726754784
 Root     46 :     4.255090553860043   Change is   -0.002620995718782
 Root     47 :     4.276627216555152   Change is   -0.000665500972530
 Root     48 :     4.292987890021941   Change is   -0.001850084067009
 Root     49 :     4.311868931914767   Change is   -0.004221571554674
 Root     50 :     4.321493798946840   Change is   -0.003678819312288
 Iteration     5 Dimension   588 NMult   500 NNew     88
 CISAX will form    88 AO SS matrices at one time.
 NMat=    88 NSing=    88 JSym2X= 0.
 Root      1 has converged.
 Root      2 has converged.
 Root      3 has converged.
 Root      4 has converged.
 Root      5 has converged.
 Root      6 has converged.
 Root      7 has converged.
 Root      8 has converged.
 Root      9 has converged.
 Root     10 has converged.
 Root     11 has converged.
 Root     12 has converged.
 Root     13 has converged.
 Root     14 has converged.
 Root     15 has converged.
 Root     16 has converged.
 Root     17 has converged.
 Root     18 has converged.
 Root     19 has converged.
 Root     20 has converged.
 Root     21 has converged.
 Root     22 not converged, maximum delta is    0.001392810987689
 Root     23 has converged.
 Root     24 not converged, maximum delta is    0.001338682172621
 Root     25 not converged, maximum delta is    0.001371951277815
 Root     26 has converged.
 Root     27 has converged.
 Root     28 has converged.
 Root     29 has converged.
 Root     30 not converged, maximum delta is    0.001880828485981
 Root     31 not converged, maximum delta is    0.002264243037031
 Root     32 not converged, maximum delta is    0.005229802496662
 Root     33 not converged, maximum delta is    0.007741838833589
 Root     34 not converged, maximum delta is    0.027153896420847
 Root     35 not converged, maximum delta is    0.017872689004397
 Root     36 not converged, maximum delta is    0.010857927928637
 Root     37 not converged, maximum delta is    0.013113961055295
 Root     38 not converged, maximum delta is    0.008862036780299
 Root     39 not converged, maximum delta is    0.008650718057709
 Root     40 not converged, maximum delta is    0.001706887624477
 Root     41 not converged, maximum delta is    0.002978625005536
 Root     42 not converged, maximum delta is    0.003994191214532
 Root     43 has converged.
 Root     44 not converged, maximum delta is    0.001469387851776
 Root     45 not converged, maximum delta is    0.003585991929359
 Root     46 not converged, maximum delta is    0.002580855447210
 Root     47 not converged, maximum delta is    0.002485591174348
 Root     48 not converged, maximum delta is    0.001889253461685
 Root     49 not converged, maximum delta is    0.013025394721007
 Root     50 not converged, maximum delta is    0.028754377794908
 Excitation Energies [eV] at current iteration:
 Root      1 :     1.260603072503156   Change is   -0.000010852749608
 Root      2 :     1.464239714115149   Change is   -0.000030982806124
 Root      3 :     1.627365719626185   Change is   -0.000023246945849
 Root      4 :     1.936623852460818   Change is   -0.000036287017126
 Root      5 :     2.345627704637126   Change is   -0.000003855326162
 Root      6 :     2.481090681898638   Change is   -0.000008861795753
 Root      7 :     2.697014472284562   Change is   -0.000006365481330
 Root      8 :     2.904780670080188   Change is   -0.000026626023372
 Root      9 :     3.042643307074083   Change is   -0.000008733194633
 Root     10 :     3.060743757518418   Change is   -0.000012226480156
 Root     11 :     3.121395768124325   Change is   -0.000085962933621
 Root     12 :     3.147883223875336   Change is   -0.000026358769976
 Root     13 :     3.200072507820195   Change is   -0.000024548835328
 Root     14 :     3.274959073469623   Change is   -0.000009182410085
 Root     15 :     3.327620039941647   Change is   -0.000015438336781
 Root     16 :     3.400506550529199   Change is   -0.000011761711571
 Root     17 :     3.446042628373505   Change is   -0.000001253324026
 Root     18 :     3.511905367281771   Change is   -0.000016426575218
 Root     19 :     3.524048103174966   Change is   -0.000041828233082
 Root     20 :     3.566928418996671   Change is   -0.000122262715191
 Root     21 :     3.609582194787245   Change is   -0.000073463072612
 Root     22 :     3.640212683843369   Change is   -0.000438551214554
 Root     23 :     3.687805146979222   Change is   -0.000016045831746
 Root     24 :     3.732642168218282   Change is   -0.000014610911614
 Root     25 :     3.743073718010439   Change is   -0.000033243868033
 Root     26 :     3.822508368673394   Change is   -0.000068468247420
 Root     27 :     3.848224000309364   Change is   -0.000012352156174
 Root     28 :     3.905691437125173   Change is   -0.000298521002214
 Root     29 :     3.938184449714525   Change is   -0.000069871973777
 Root     30 :     3.983442452189331   Change is   -0.000073332272242
 Root     31 :     3.995082458067058   Change is   -0.000129976739457
 Root     32 :     4.012151172888503   Change is   -0.000088125750560
 Root     33 :     4.023869780169993   Change is   -0.000025184459187
 Root     34 :     4.030260914736736   Change is   -0.000651703744426
 Root     35 :     4.045351145977044   Change is   -0.000432170532402
 Root     36 :     4.064966634677837   Change is   -0.000460588575782
 Root     37 :     4.084922743486564   Change is   -0.000603145651095
 Root     38 :     4.099531534749499   Change is   -0.000329498065470
 Root     39 :     4.112944354357768   Change is   -0.000236916589038
 Root     40 :     4.145077312662452   Change is   -0.000062576197901
 Root     41 :     4.167492611286411   Change is   -0.000196866186100
 Root     42 :     4.180087019729926   Change is   -0.000316539666477
 Root     43 :     4.201529898359528   Change is   -0.000111497251103
 Root     44 :     4.213743553092802   Change is   -0.000033805494042
 Root     45 :     4.222310053737226   Change is   -0.000120458362973
 Root     46 :     4.254856740806537   Change is   -0.000233813053507
 Root     47 :     4.276568167140071   Change is   -0.000059049415081
 Root     48 :     4.292821396116833   Change is   -0.000166493905108
 Root     49 :     4.311374117972279   Change is   -0.000494813942488
 Root     50 :     4.321047855790157   Change is   -0.000445943156683
 Iteration     6 Dimension   634 NMult   588 NNew     46
 CISAX will form    46 AO SS matrices at one time.
 NMat=    46 NSing=    46 JSym2X= 0.
 Root      1 has converged.
 Root      2 has converged.
 Root      3 has converged.
 Root      4 has converged.
 Root      5 has converged.
 Root      6 has converged.
 Root      7 has converged.
 Root      8 has converged.
 Root      9 has converged.
 Root     10 has converged.
 Root     11 has converged.
 Root     12 has converged.
 Root     13 has converged.
 Root     14 has converged.
 Root     15 has converged.
 Root     16 has converged.
 Root     17 has converged.
 Root     18 has converged.
 Root     19 has converged.
 Root     20 has converged.
 Root     21 has converged.
 Root     22 has converged.
 Root     23 has converged.
 Root     24 has converged.
 Root     25 has converged.
 Root     26 has converged.
 Root     27 has converged.
 Root     28 has converged.
 Root     29 has converged.
 Root     30 has converged.
 Root     31 has converged.
 Root     32 has converged.
 Root     33 has converged.
 Root     34 not converged, maximum delta is    0.002428541025752
 Root     35 not converged, maximum delta is    0.001468551129312
 Root     36 has converged.
 Root     37 not converged, maximum delta is    0.001078163651425
 Root     38 has converged.
 Root     39 has converged.
 Root     40 has converged.
 Root     41 has converged.
 Root     42 has converged.
 Root     43 has converged.
 Root     44 has converged.
 Root     45 has converged.
 Root     46 has converged.
 Root     47 has converged.
 Root     48 has converged.
 Root     49 not converged, maximum delta is    0.001420250355990
 Root     50 not converged, maximum delta is    0.002887560000056
 Excitation Energies [eV] at current iteration:
 Root      1 :     1.260602202111686   Change is   -0.000000870391470
 Root      2 :     1.464238966196091   Change is   -0.000000747919057
 Root      3 :     1.627365532013817   Change is   -0.000000187612369
 Root      4 :     1.936623054415218   Change is   -0.000000798045599
 Root      5 :     2.345627584098142   Change is   -0.000000120538984
 Root      6 :     2.481089926098516   Change is   -0.000000755800122
 Root      7 :     2.697014401483854   Change is   -0.000000070800709
 Root      8 :     2.904780124604414   Change is   -0.000000545475774
 Root      9 :     3.042643128132525   Change is   -0.000000178941557
 Root     10 :     3.060743448608235   Change is   -0.000000308910182
 Root     11 :     3.121393449249291   Change is   -0.000002318875035
 Root     12 :     3.147882600404972   Change is   -0.000000623470364
 Root     13 :     3.200072107515050   Change is   -0.000000400305145
 Root     14 :     3.274958927970677   Change is   -0.000000145498946
 Root     15 :     3.327619831895764   Change is   -0.000000208045883
 Root     16 :     3.400505889089784   Change is   -0.000000661439414
 Root     17 :     3.446042573976305   Change is   -0.000000054397200
 Root     18 :     3.511904957104125   Change is   -0.000000410177647
 Root     19 :     3.524046420687288   Change is   -0.000001682487678
 Root     20 :     3.566922565122314   Change is   -0.000005853874357
 Root     21 :     3.609578930340263   Change is   -0.000003264446982
 Root     22 :     3.640185792049657   Change is   -0.000026891793712
 Root     23 :     3.687804159452326   Change is   -0.000000987526896
 Root     24 :     3.732641209147735   Change is   -0.000000959070547
 Root     25 :     3.743071471795170   Change is   -0.000002246215269
 Root     26 :     3.822503645698657   Change is   -0.000004722974737
 Root     27 :     3.848223277370842   Change is   -0.000000722938522
 Root     28 :     3.905669730820639   Change is   -0.000021706304533
 Root     29 :     3.938179375393060   Change is   -0.000005074321466
 Root     30 :     3.983436399087673   Change is   -0.000006053101658
 Root     31 :     3.995072361424179   Change is   -0.000010096642879
 Root     32 :     4.012143705303605   Change is   -0.000007467584898
 Root     33 :     4.023867561108857   Change is   -0.000002219061136
 Root     34 :     4.030203927444719   Change is   -0.000056987292017
 Root     35 :     4.045316620453277   Change is   -0.000034525523767
 Root     36 :     4.064926337404560   Change is   -0.000040297273276
 Root     37 :     4.084871295131627   Change is   -0.000051448354937
 Root     38 :     4.099502835262604   Change is   -0.000028699486895
 Root     39 :     4.112924861046001   Change is   -0.000019493311766
 Root     40 :     4.145071605667835   Change is   -0.000005706994618
 Root     41 :     4.167473797704013   Change is   -0.000018813582398
 Root     42 :     4.180056811493518   Change is   -0.000030208236408
 Root     43 :     4.201520103944850   Change is   -0.000009794414678
 Root     44 :     4.213740319217457   Change is   -0.000003233875345
 Root     45 :     4.222298388864329   Change is   -0.000011664872898
 Root     46 :     4.254834285322961   Change is   -0.000022455483576
 Root     47 :     4.276562511828432   Change is   -0.000005655311638
 Root     48 :     4.292804981634546   Change is   -0.000016414482286
 Root     49 :     4.311322858288737   Change is   -0.000051259683542
 Root     50 :     4.321000085437894   Change is   -0.000047770352264
 Iteration     7 Dimension   644 NMult   634 NNew     10
 CISAX will form    10 AO SS matrices at one time.
 NMat=    10 NSing=    10 JSym2X= 0.
 Root      1 has converged.
 Root      2 has converged.
 Root      3 has converged.
 Root      4 has converged.
 Root      5 has converged.
 Root      6 has converged.
 Root      7 has converged.
 Root      8 has converged.
 Root      9 has converged.
 Root     10 has converged.
 Root     11 has converged.
 Root     12 has converged.
 Root     13 has converged.
 Root     14 has converged.
 Root     15 has converged.
 Root     16 has converged.
 Root     17 has converged.
 Root     18 has converged.
 Root     19 has converged.
 Root     20 has converged.
 Root     21 has converged.
 Root     22 has converged.
 Root     23 has converged.
 Root     24 has converged.
 Root     25 has converged.
 Root     26 has converged.
 Root     27 has converged.
 Root     28 has converged.
 Root     29 has converged.
 Root     30 has converged.
 Root     31 has converged.
 Root     32 has converged.
 Root     33 has converged.
 Root     34 has converged.
 Root     35 has converged.
 Root     36 has converged.
 Root     37 has converged.
 Root     38 has converged.
 Root     39 has converged.
 Root     40 has converged.
 Root     41 has converged.
 Root     42 has converged.
 Root     43 has converged.
 Root     44 has converged.
 Root     45 has converged.
 Root     46 has converged.
 Root     47 has converged.
 Root     48 has converged.
 Root     49 has converged.
 Root     50 has converged.
 Excitation Energies [eV] at current iteration:
 Root      1 :     1.260602113089505   Change is   -0.000000089022180
 Root      2 :     1.464238929278648   Change is   -0.000000036917443
 Root      3 :     1.627365511798141   Change is   -0.000000020215676
 Root      4 :     1.936623008142569   Change is   -0.000000046272649
 Root      5 :     2.345627576608571   Change is   -0.000000007489571
 Root      6 :     2.481089862873028   Change is   -0.000000063225489
 Root      7 :     2.697014377628502   Change is   -0.000000023855352
 Root      8 :     2.904780105175767   Change is   -0.000000019428647
 Root      9 :     3.042643122691684   Change is   -0.000000005440841
 Root     10 :     3.060743439275867   Change is   -0.000000009332368
 Root     11 :     3.121393352524159   Change is   -0.000000096725132
 Root     12 :     3.147882582473091   Change is   -0.000000017931881
 Root     13 :     3.200072096301736   Change is   -0.000000011213314
 Root     14 :     3.274958922120466   Change is   -0.000000005850210
 Root     15 :     3.327619819514536   Change is   -0.000000012381228
 Root     16 :     3.400505873818820   Change is   -0.000000015270964
 Root     17 :     3.446042572068618   Change is   -0.000000001907687
 Root     18 :     3.511904938573976   Change is   -0.000000018530149
 Root     19 :     3.524046369395167   Change is   -0.000000051292121
 Root     20 :     3.566922374958938   Change is   -0.000000190163376
 Root     21 :     3.609578909377362   Change is   -0.000000020962901
 Root     22 :     3.640185658658249   Change is   -0.000000133391408
 Root     23 :     3.687804144611121   Change is   -0.000000014841205
 Root     24 :     3.732641168310043   Change is   -0.000000040837692
 Root     25 :     3.743071340204017   Change is   -0.000000131591153
 Root     26 :     3.822503317866982   Change is   -0.000000327831676
 Root     27 :     3.848223249818398   Change is   -0.000000027552444
 Root     28 :     3.905668576801747   Change is   -0.000001154018892
 Root     29 :     3.938179064587356   Change is   -0.000000310805703
 Root     30 :     3.983436099008232   Change is   -0.000000300079442
 Root     31 :     3.995071845314362   Change is   -0.000000516109817
 Root     32 :     4.012143180742046   Change is   -0.000000524561559
 Root     33 :     4.023867381041108   Change is   -0.000000180067750
 Root     34 :     4.030198917934450   Change is   -0.000005009510270
 Root     35 :     4.045313609503593   Change is   -0.000003010949684
 Root     36 :     4.064922853939313   Change is   -0.000003483465247
 Root     37 :     4.084866464830919   Change is   -0.000004830300708
 Root     38 :     4.099500292451053   Change is   -0.000002542811551
 Root     39 :     4.112923294132826   Change is   -0.000001566913175
 Root     40 :     4.145071161097403   Change is   -0.000000444570432
 Root     41 :     4.167472802025912   Change is   -0.000000995678101
 Root     42 :     4.180055835865806   Change is   -0.000000975627711
 Root     43 :     4.201519643417102   Change is   -0.000000460527748
 Root     44 :     4.213740194004407   Change is   -0.000000125213050
 Root     45 :     4.222298182167256   Change is   -0.000000206697073
 Root     46 :     4.254833021670057   Change is   -0.000001263652904
 Root     47 :     4.276562291545858   Change is   -0.000000220282575
 Root     48 :     4.292804308978922   Change is   -0.000000672655625
 Root     49 :     4.311317503691289   Change is   -0.000005354597447
 Root     50 :     4.320994848790376   Change is   -0.000005236647517
 Convergence achieved on expansion vectors.
 ***********************************************************************
 Excited states from <AA,BB:AA,BB> singles matrix:
 ***********************************************************************

 ExtSpn:  IState=     1 X2= 1.005 Y2= 0.005 X2-Y2-1=-5.55D-16
          S2Grnd=  0.753 Ra=  0.000 Rb=  0.002 T= -0.002 S2Ext=  0.001 S2=  0.754
 ExtSpn:  IState=     2 X2= 1.005 Y2= 0.005 X2-Y2-1=-6.11D-15
          S2Grnd=  0.753 Ra=  0.000 Rb=  0.002 T= -0.001 S2Ext=  0.002 S2=  0.755
 ExtSpn:  IState=     3 X2= 1.004 Y2= 0.004 X2-Y2-1= 2.89D-15
          S2Grnd=  0.753 Ra=  0.000 Rb=  0.003 T= -0.002 S2Ext=  0.001 S2=  0.754
 ExtSpn:  IState=     4 X2= 1.008 Y2= 0.008 X2-Y2-1= 2.66D-15
          S2Grnd=  0.753 Ra=  0.000 Rb=  0.002 T= -0.001 S2Ext=  0.002 S2=  0.755
 ExtSpn:  IState=     5 X2= 1.001 Y2= 0.001 X2-Y2-1= 2.66D-15
          S2Grnd=  0.753 Ra=  0.003 Rb=  0.040 T=  0.016 S2Ext=  0.059 S2=  0.812
 ExtSpn:  IState=     6 X2= 1.001 Y2= 0.001 X2-Y2-1=-2.55D-15
          S2Grnd=  0.753 Ra=  0.001 Rb=  0.015 T=  0.000 S2Ext=  0.016 S2=  0.769
 ExtSpn:  IState=     7 X2= 1.001 Y2= 0.001 X2-Y2-1=-1.11D-15
          S2Grnd=  0.753 Ra=  0.001 Rb=  0.030 T=  0.004 S2Ext=  0.035 S2=  0.788
 ExtSpn:  IState=     8 X2= 1.017 Y2= 0.017 X2-Y2-1= 2.22D-15
          S2Grnd=  0.753 Ra=  0.427 Rb=  0.388 T=  0.805 S2Ext=  1.620 S2=  2.373
 ExtSpn:  IState=     9 X2= 1.003 Y2= 0.003 X2-Y2-1=-7.77D-16
          S2Grnd=  0.753 Ra=  0.093 Rb=  0.090 T=  0.156 S2Ext=  0.340 S2=  1.093
 ExtSpn:  IState=    10 X2= 1.001 Y2= 0.001 X2-Y2-1= 0.00D+00
          S2Grnd=  0.753 Ra=  0.010 Rb=  0.042 T=  0.021 S2Ext=  0.073 S2=  0.826
 ExtSpn:  IState=    11 X2= 1.021 Y2= 0.021 X2-Y2-1= 8.88D-16
          S2Grnd=  0.753 Ra=  0.439 Rb=  0.397 T=  0.822 S2Ext=  1.658 S2=  2.411
 ExtSpn:  IState=    12 X2= 1.004 Y2= 0.004 X2-Y2-1=-2.78D-15
          S2Grnd=  0.753 Ra=  0.085 Rb=  0.098 T=  0.158 S2Ext=  0.341 S2=  1.094
 ExtSpn:  IState=    13 X2= 1.001 Y2= 0.001 X2-Y2-1=-1.89D-15
          S2Grnd=  0.753 Ra=  0.002 Rb=  0.030 T=  0.003 S2Ext=  0.035 S2=  0.788
 ExtSpn:  IState=    14 X2= 1.000 Y2= 0.000 X2-Y2-1=-3.22D-15
          S2Grnd=  0.753 Ra=  0.010 Rb=  0.031 T=  0.004 S2Ext=  0.045 S2=  0.798
 ExtSpn:  IState=    15 X2= 1.001 Y2= 0.001 X2-Y2-1= 2.89D-15
          S2Grnd=  0.753 Ra=  0.014 Rb=  0.045 T= -0.026 S2Ext=  0.034 S2=  0.787
 ExtSpn:  IState=    16 X2= 1.002 Y2= 0.002 X2-Y2-1=-7.77D-16
          S2Grnd=  0.753 Ra=  0.452 Rb=  0.498 T= -0.930 S2Ext=  0.019 S2=  0.772
 ExtSpn:  IState=    17 X2= 1.000 Y2= 0.000 X2-Y2-1= 4.88D-15
          S2Grnd=  0.753 Ra=  0.001 Rb=  0.034 T=  0.001 S2Ext=  0.037 S2=  0.790
 ExtSpn:  IState=    18 X2= 1.001 Y2= 0.001 X2-Y2-1=-7.77D-16
          S2Grnd=  0.753 Ra=  0.190 Rb=  0.037 T=  0.014 S2Ext=  0.241 S2=  0.994
 ExtSpn:  IState=    19 X2= 1.001 Y2= 0.001 X2-Y2-1=-2.22D-16
          S2Grnd=  0.753 Ra=  0.084 Rb=  0.062 T=  0.032 S2Ext=  0.178 S2=  0.931
 ExtSpn:  IState=    20 X2= 1.011 Y2= 0.011 X2-Y2-1= 4.66D-15
          S2Grnd=  0.753 Ra=  0.388 Rb=  0.423 T=  0.781 S2Ext=  1.592 S2=  2.345
 ExtSpn:  IState=    21 X2= 1.004 Y2= 0.004 X2-Y2-1=-2.00D-15
          S2Grnd=  0.753 Ra=  0.083 Rb=  0.121 T=  0.155 S2Ext=  0.359 S2=  1.112
 ExtSpn:  IState=    22 X2= 1.033 Y2= 0.033 X2-Y2-1=-5.55D-16
          S2Grnd=  0.753 Ra=  0.504 Rb=  0.481 T=  0.978 S2Ext=  1.963 S2=  2.716
 ExtSpn:  IState=    23 X2= 1.001 Y2= 0.001 X2-Y2-1= 3.55D-15
          S2Grnd=  0.753 Ra=  0.746 Rb=  0.242 T=  0.803 S2Ext=  1.791 S2=  2.544
 ExtSpn:  IState=    24 X2= 1.001 Y2= 0.001 X2-Y2-1=-1.78D-15
          S2Grnd=  0.753 Ra=  0.160 Rb=  0.820 T= -0.496 S2Ext=  0.483 S2=  1.236
 ExtSpn:  IState=    25 X2= 1.001 Y2= 0.001 X2-Y2-1= 4.22D-15
          S2Grnd=  0.753 Ra=  0.176 Rb=  0.800 T=  0.286 S2Ext=  1.263 S2=  2.016
 ExtSpn:  IState=    26 X2= 1.001 Y2= 0.001 X2-Y2-1= 0.00D+00
          S2Grnd=  0.753 Ra=  0.183 Rb=  0.752 T=  0.568 S2Ext=  1.504 S2=  2.257
 ExtSpn:  IState=    27 X2= 1.001 Y2= 0.001 X2-Y2-1=-9.99D-16
          S2Grnd=  0.753 Ra=  0.802 Rb=  0.171 T= -0.533 S2Ext=  0.440 S2=  1.193
 ExtSpn:  IState=    28 X2= 1.012 Y2= 0.012 X2-Y2-1= 2.22D-15
          S2Grnd=  0.753 Ra=  0.546 Rb=  0.445 T=  0.902 S2Ext=  1.893 S2=  2.646
 ExtSpn:  IState=    29 X2= 1.002 Y2= 0.002 X2-Y2-1=-3.33D-16
          S2Grnd=  0.753 Ra=  0.809 Rb=  0.133 T= -0.316 S2Ext=  0.626 S2=  1.379
 ExtSpn:  IState=    30 X2= 1.002 Y2= 0.002 X2-Y2-1= 4.66D-15
          S2Grnd=  0.753 Ra=  0.577 Rb=  0.342 T=  0.476 S2Ext=  1.395 S2=  2.148
 ExtSpn:  IState=    31 X2= 1.002 Y2= 0.002 X2-Y2-1=-4.66D-15
          S2Grnd=  0.753 Ra=  0.367 Rb=  0.458 T= -0.320 S2Ext=  0.505 S2=  1.258
 ExtSpn:  IState=    32 X2= 1.002 Y2= 0.002 X2-Y2-1= 2.44D-15
          S2Grnd=  0.753 Ra=  0.633 Rb=  0.237 T=  0.026 S2Ext=  0.896 S2=  1.649
 ExtSpn:  IState=    33 X2= 1.000 Y2= 0.000 X2-Y2-1=-9.10D-15
          S2Grnd=  0.753 Ra=  0.146 Rb=  0.071 T= -0.060 S2Ext=  0.156 S2=  0.909
 ExtSpn:  IState=    34 X2= 1.006 Y2= 0.006 X2-Y2-1= 1.33D-15
          S2Grnd=  0.753 Ra=  0.330 Rb=  0.557 T=  0.619 S2Ext=  1.507 S2=  2.260
 ExtSpn:  IState=    35 X2= 1.004 Y2= 0.004 X2-Y2-1=-6.66D-16
          S2Grnd=  0.753 Ra=  0.373 Rb=  0.414 T= -0.221 S2Ext=  0.566 S2=  1.319
 ExtSpn:  IState=    36 X2= 1.004 Y2= 0.004 X2-Y2-1=-1.67D-15
          S2Grnd=  0.753 Ra=  0.384 Rb=  0.528 T= -0.188 S2Ext=  0.725 S2=  1.478
 ExtSpn:  IState=    37 X2= 1.006 Y2= 0.006 X2-Y2-1=-3.44D-15
          S2Grnd=  0.753 Ra=  0.326 Rb=  0.255 T= -0.011 S2Ext=  0.569 S2=  1.322
 ExtSpn:  IState=    38 X2= 1.003 Y2= 0.003 X2-Y2-1=-2.00D-15
          S2Grnd=  0.753 Ra=  0.252 Rb=  0.715 T=  0.529 S2Ext=  1.497 S2=  2.250
 ExtSpn:  IState=    39 X2= 1.003 Y2= 0.003 X2-Y2-1= 2.44D-15
          S2Grnd=  0.753 Ra=  0.364 Rb=  0.536 T=  0.559 S2Ext=  1.458 S2=  2.211
 ExtSpn:  IState=    40 X2= 1.001 Y2= 0.001 X2-Y2-1=-7.77D-16
          S2Grnd=  0.753 Ra=  0.721 Rb=  0.247 T= -0.499 S2Ext=  0.468 S2=  1.221
 ExtSpn:  IState=    41 X2= 1.003 Y2= 0.003 X2-Y2-1=-1.11D-16
          S2Grnd=  0.753 Ra=  0.233 Rb=  0.271 T= -0.031 S2Ext=  0.474 S2=  1.227
 ExtSpn:  IState=    42 X2= 1.005 Y2= 0.005 X2-Y2-1=-1.67D-15
          S2Grnd=  0.753 Ra=  0.432 Rb=  0.455 T=  0.758 S2Ext=  1.645 S2=  2.398
 ExtSpn:  IState=    43 X2= 1.002 Y2= 0.002 X2-Y2-1= 2.22D-15
          S2Grnd=  0.753 Ra=  0.592 Rb=  0.301 T=  0.704 S2Ext=  1.598 S2=  2.351
 ExtSpn:  IState=    44 X2= 1.000 Y2= 0.000 X2-Y2-1= 4.22D-15
          S2Grnd=  0.753 Ra=  0.081 Rb=  0.153 T= -0.030 S2Ext=  0.205 S2=  0.958
 ExtSpn:  IState=    45 X2= 1.002 Y2= 0.002 X2-Y2-1= 2.66D-15
          S2Grnd=  0.753 Ra=  0.571 Rb=  0.343 T=  0.293 S2Ext=  1.207 S2=  1.960
 ExtSpn:  IState=    46 X2= 1.003 Y2= 0.003 X2-Y2-1= 4.44D-16
          S2Grnd=  0.753 Ra=  0.251 Rb=  0.625 T=  0.165 S2Ext=  1.042 S2=  1.795
 ExtSpn:  IState=    47 X2= 1.001 Y2= 0.001 X2-Y2-1=-2.22D-16
          S2Grnd=  0.753 Ra=  0.431 Rb=  0.553 T= -0.739 S2Ext=  0.246 S2=  0.999
 ExtSpn:  IState=    48 X2= 1.001 Y2= 0.001 X2-Y2-1= 4.22D-15
          S2Grnd=  0.753 Ra=  0.529 Rb=  0.373 T=  0.471 S2Ext=  1.372 S2=  2.125
 ExtSpn:  IState=    49 X2= 1.003 Y2= 0.003 X2-Y2-1= 8.88D-16
          S2Grnd=  0.753 Ra=  0.523 Rb=  0.272 T=  0.510 S2Ext=  1.305 S2=  2.058
 ExtSpn:  IState=    50 X2= 1.003 Y2= 0.003 X2-Y2-1=-3.33D-15
          S2Grnd=  0.753 Ra=  0.424 Rb=  0.201 T=  0.175 S2Ext=  0.799 S2=  1.552
 1PDM for each excited state written to RWF  633
 Ground to excited state transition densities written to RWF  633
 Ground to excited state transition electric dipole moments (Au):
       state          X           Y           Z        Dip. S.      Osc.
         1         0.1729     -0.0798      0.1114      0.0487      0.0015
         2         0.0929     -0.2288     -0.0448      0.0630      0.0023
         3         0.1276      0.1060     -0.2377      0.0840      0.0033
         4        -0.1295     -0.0648      0.0480      0.0233      0.0011
         5         0.2321      0.1190      0.0663      0.0724      0.0042
         6         0.0711     -0.2639     -0.0515      0.0773      0.0047
         7        -0.0631     -0.1334      0.0762      0.0276      0.0018
         8        -0.0403     -0.0302      0.0173      0.0028      0.0002
         9        -0.1267      0.0026     -0.0216      0.0165      0.0012
        10         0.1561     -0.0281      0.1604      0.0509      0.0038
        11         0.0437      0.0519     -0.0774      0.0106      0.0008
        12        -0.1166      0.0439     -0.2329      0.0698      0.0054
        13         0.0334      0.1676      0.1700      0.0581      0.0046
        14        -0.0419     -0.1492     -0.0788      0.0302      0.0024
        15         0.0724      0.1936      0.1118      0.0552      0.0045
        16        -1.1904     -0.0438     -0.3602      1.5486      0.1290
        17        -0.0420     -0.0041     -0.0190      0.0021      0.0002
        18         0.0053     -0.1673      0.0265      0.0287      0.0025
        19        -0.1396      0.0898     -0.0475      0.0298      0.0026
        20        -0.0473      0.0189     -0.0650      0.0068      0.0006
        21        -0.0212      0.0295     -0.1095      0.0133      0.0012
        22         0.0273      0.0063     -0.0030      0.0008      0.0001
        23         0.0640      0.0250      0.0174      0.0050      0.0005
        24        -0.0801      0.0177     -0.0062      0.0068      0.0006
        25         0.1428      0.0161      0.0477      0.0229      0.0021
        26         0.0706     -0.0734     -0.0246      0.0110      0.0010
        27         0.3159      0.0894      0.0777      0.1138      0.0107
        28        -0.1878     -0.0457     -0.0413      0.0391      0.0037
        29        -0.0763     -0.0472     -0.0333      0.0092      0.0009
        30        -0.6300      0.0294     -0.0253      0.3984      0.0389
        31         1.2577     -0.0366      0.0294      1.5840      0.1550
        32        -0.7110      0.1260     -0.0674      0.5259      0.0517
        33         0.1838      0.0768     -0.0404      0.0413      0.0041
        34         0.3146     -0.0695      0.1535      0.1273      0.0126
        35         0.4571     -0.5797      0.0216      0.5455      0.0541
        36        -0.1795      0.3285      0.0489      0.1425      0.0142
        37         0.8787     -0.4773      0.2677      1.0716      0.1072
        38        -0.3803      0.0768     -0.0147      0.1507      0.0151
        39         0.0523      0.2112     -0.0147      0.0476      0.0048
        40         0.0845     -0.2647     -0.1645      0.1043      0.0106
        41         0.1989     -0.3360     -0.3605      0.2824      0.0288
        42        -0.0242     -0.0739     -0.2570      0.0721      0.0074
        43         0.0706      0.1827      0.2502      0.1010      0.0104
        44        -0.1554     -0.0025      0.0375      0.0256      0.0026
        45         0.4027      0.0619      0.4300      0.3509      0.0363
        46         0.3425      0.1361      0.3240      0.2408      0.0251
        47        -0.2717      0.1859      0.0308      0.1093      0.0115
        48        -0.2011     -0.2809     -0.3720      0.2577      0.0271
        49         0.1734      0.0111      0.2705      0.1033      0.0109
        50        -0.0372     -0.1362     -0.1610      0.0459      0.0049
 Ground to excited state transition velocity dipole moments (Au):
       state          X           Y           Z        Dip. S.      Osc.
         1        -0.0162      0.0015     -0.0019      0.0003      0.0039
         2        -0.0050      0.0087      0.0008      0.0001      0.0013
         3        -0.0237     -0.0116      0.0219      0.0012      0.0131
         4         0.0150      0.0101     -0.0052      0.0004      0.0033
         5        -0.0159     -0.0083     -0.0071      0.0004      0.0029
         6        -0.0051      0.0179      0.0055      0.0004      0.0027
         7         0.0000      0.0118     -0.0055      0.0002      0.0011
         8         0.0023      0.0035     -0.0019      0.0000      0.0001
         9         0.0147     -0.0008      0.0033      0.0002      0.0014
        10        -0.0203      0.0034     -0.0158      0.0007      0.0040
        11        -0.0026     -0.0063      0.0074      0.0001      0.0006
        12         0.0176     -0.0047      0.0240      0.0009      0.0052
        13        -0.0031     -0.0215     -0.0166      0.0007      0.0042
        14         0.0044      0.0188      0.0097      0.0005      0.0026
        15        -0.0072     -0.0269     -0.0125      0.0009      0.0051
        16         0.1453      0.0074      0.0427      0.0230      0.1227
        17         0.0051      0.0008      0.0015      0.0000      0.0002
        18        -0.0015      0.0239     -0.0060      0.0006      0.0031
        19         0.0161     -0.0119      0.0022      0.0004      0.0021
        20         0.0081     -0.0027      0.0104      0.0002      0.0009
        21         0.0059     -0.0028      0.0182      0.0004      0.0019
        22        -0.0032     -0.0007      0.0011      0.0000      0.0001
        23        -0.0081     -0.0041     -0.0020      0.0001      0.0004
        24         0.0082     -0.0055      0.0035      0.0001      0.0005
        25        -0.0195     -0.0019     -0.0054      0.0004      0.0020
        26        -0.0059      0.0140      0.0028      0.0002      0.0011
        27        -0.0464     -0.0096     -0.0102      0.0024      0.0111
        28         0.0265      0.0083      0.0046      0.0008      0.0037
        29         0.0169      0.0107      0.0018      0.0004      0.0019
        30         0.0875     -0.0005      0.0043      0.0077      0.0349
        31        -0.1771     -0.0038     -0.0019      0.0314      0.1425
        32         0.1047     -0.0171      0.0114      0.0114      0.0515
        33        -0.0245     -0.0119      0.0087      0.0008      0.0037
        34        -0.0477      0.0168     -0.0234      0.0031      0.0140
        35        -0.0734      0.0933     -0.0079      0.0142      0.0635
        36         0.0313     -0.0480     -0.0015      0.0033      0.0147
        37        -0.1346      0.0872     -0.0423      0.0275      0.1223
        38         0.0556     -0.0144     -0.0002      0.0033      0.0146
        39        -0.0031     -0.0299      0.0097      0.0010      0.0044
        40        -0.0142      0.0440      0.0233      0.0027      0.0117
        41        -0.0262      0.0644      0.0666      0.0093      0.0404
        42         0.0074      0.0155      0.0468      0.0025      0.0108
        43        -0.0121     -0.0335     -0.0429      0.0031      0.0134
        44         0.0210     -0.0040     -0.0126      0.0006      0.0027
        45        -0.0651     -0.0102     -0.0712      0.0094      0.0404
        46        -0.0534     -0.0227     -0.0520      0.0061      0.0259
        47         0.0423     -0.0294     -0.0063      0.0027      0.0114
        48         0.0323      0.0462      0.0607      0.0069      0.0290
        49        -0.0301     -0.0009     -0.0474      0.0031      0.0133
        50         0.0050      0.0219      0.0252      0.0011      0.0048
 Ground to excited state transition magnetic dipole moments (Au):
       state          X           Y           Z
         1         0.2485      0.1685      0.0849
         2        -0.3727      0.1198      0.0984
         3        -0.1784     -0.4186      0.0568
         4        -0.4135     -0.0856      0.6912
         5         0.1467      0.0993     -0.1951
         6         0.1395     -0.2025      0.1637
         7        -0.1369      0.1769      0.1271
         8        -0.0681      0.0219      0.0658
         9        -0.0753     -0.1302      0.1884
        10        -0.2278      0.1384      0.2894
        11         0.1414     -0.0094     -0.2432
        12         0.2098     -0.2063     -0.2883
        13        -0.1519     -0.1388      0.1816
        14        -0.1275      0.0042      0.1618
        15         0.1614     -0.0057     -0.2940
        16        -0.3472     -1.1029      0.8383
        17         0.0679     -0.0041     -0.0017
        18         0.1271      0.1899      0.1719
        19         0.3903      0.0749     -0.1522
        20        -0.3006     -0.2420      0.0327
        21        -0.3369     -0.3197     -0.0761
        22        -0.0239     -0.0053     -0.0370
        23         0.0578      0.0952     -0.1035
        24         0.1203      0.0104     -0.0792
        25         0.0583      0.1484     -0.1225
        26        -0.0396     -0.0024      0.0885
        27         0.1234      0.2428     -0.2450
        28        -0.0455     -0.1834      0.2207
        29        -0.0233     -0.0292      0.1125
        30        -0.2090     -0.6447      0.3539
        31         0.3179      1.1442     -0.7037
        32        -0.1454     -0.5379      0.1975
        33         0.0304      0.1002     -0.3138
        34         0.1761      0.2094     -0.1000
        35         0.1240      0.1262      0.9305
        36         0.1156     -0.0481     -0.5929
        37         0.2555      0.4369      0.4194
        38        -0.0276     -0.1490      0.0696
        39         0.3061      0.0616     -0.5276
        40        -0.1274     -0.2536      0.5425
        41         0.3953     -0.4842      0.5711
        42         0.2078     -0.3411      0.1798
        43        -0.1529      0.3792     -0.4121
        44        -0.3153      0.0175      0.0871
        45        -0.0550      0.6856     -0.3989
        46         0.0242      0.5891     -0.5124
        47        -0.2347     -0.3332      0.3093
        48         0.0477     -0.4735      0.5235
        49        -0.1260      0.3381     -0.1855
        50        -0.0336     -0.1466      0.1142
 Ground to excited state transition velocity quadrupole moments (Au):
       state          XX          YY          ZZ          XY          XZ          YZ
         1        -0.2728      0.0174      0.0179     -0.0100     -0.0312     -0.0116
         2        -0.1286      0.0200      0.0342      0.0588     -0.0124      0.0083
         3        -0.2802     -0.0369     -0.0079     -0.1448      0.1604      0.1146
         4         0.1480      0.0254      0.0039      0.0939     -0.0469     -0.0397
         5        -0.0240     -0.0173     -0.0123     -0.0770     -0.0144     -0.0081
         6        -0.1966      0.0062      0.0720      0.1463     -0.0101      0.0141
         7        -0.1456      0.0509      0.0182      0.0949     -0.0824     -0.0461
         8        -0.0564      0.0181      0.0037      0.0378     -0.0351     -0.0093
         9         0.2295     -0.0303     -0.0037     -0.0082      0.0494     -0.0259
        10        -0.2403      0.0340      0.0122      0.0365     -0.1449     -0.0867
        11         0.0470     -0.0218     -0.0113     -0.0562      0.0684      0.0493
        12         0.2563     -0.0372     -0.0166     -0.0249      0.1915      0.1056
        13         0.1436     -0.0811     -0.0221     -0.1560     -0.0620     -0.0894
        14        -0.0286      0.0628      0.0238      0.1468      0.0452      0.0125
        15         0.0906     -0.0776     -0.0350     -0.2056     -0.0376     -0.0376
        16         1.3569     -0.1761     -0.0365      0.2025      0.3879     -0.0142
        17         0.0551     -0.0087     -0.0056     -0.0078      0.0126      0.0023
        18        -0.1764      0.0421      0.0376      0.1715     -0.0691     -0.0577
        19         0.2315     -0.0710     -0.0435     -0.0972      0.0317      0.0118
        20         0.1236     -0.0062     -0.0012     -0.0142      0.0896      0.0369
        21        -0.0215      0.0327      0.0026     -0.0230      0.1084      0.1172
        22        -0.0633      0.0113      0.0006     -0.0075     -0.0027      0.0206
        23        -0.0721     -0.0038     -0.0137     -0.0513     -0.0236      0.0111
        24         0.0249     -0.0266     -0.0171     -0.0657      0.0084      0.0087
        25        -0.2327      0.0098     -0.0065     -0.0311     -0.0690      0.0107
        26        -0.1568      0.0517      0.0038      0.1035     -0.0168      0.0387
        27        -0.3940      0.0451      0.0063     -0.0827     -0.1128      0.0024
        28         0.1977      0.0017      0.0087      0.0891      0.0343     -0.0007
        29        -0.0078      0.0268     -0.0142      0.1287     -0.0334      0.0303
        30         0.1987      0.0977      0.0579      0.1973     -0.0524      0.0797
        31        -0.5028     -0.1527     -0.1014     -0.3471      0.1216     -0.1547
        32         0.5673     -0.0437      0.0132     -0.0255      0.1136      0.1788
        33        -0.2692      0.0367     -0.0184     -0.0327     -0.0023      0.0546
        34        -0.8639      0.2142      0.0702      0.1273     -0.3094      0.0164
        35        -0.2073      0.0821      0.0969      0.3974      0.0251     -0.2438
        36        -0.3213      0.0716     -0.0025     -0.2065     -0.1009      0.2821
        37        -1.8046      0.4457      0.1682      0.5614     -0.5233     -0.1154
        38         0.6032     -0.1210     -0.0159     -0.1489      0.0959      0.0215
        39        -0.4698      0.0842      0.0102     -0.2035     -0.0150      0.2925
        40         0.2494      0.0071      0.0076      0.3656      0.1948     -0.1428
        41        -0.3394      0.1743      0.0889      0.3844      0.4320      0.2845
        42         0.1256      0.0232      0.0171      0.0804      0.3446      0.2009
        43        -0.1798     -0.0370     -0.0279     -0.2051     -0.3166     -0.1192
        44         0.4271     -0.0994     -0.0387     -0.0083     -0.0324     -0.1809
        45        -0.9993      0.1151      0.0166     -0.0770     -0.6191     -0.1619
        46        -0.8064      0.0696     -0.0103     -0.1736     -0.4674     -0.0683
        47         0.5283      0.0031      0.0710     -0.0971      0.0463      0.0694
        48         0.6839     -0.0570     -0.0225      0.2634      0.4953      0.0077
        49        -0.5423      0.0644      0.0297      0.0077     -0.4004     -0.1350
        50         0.2949     -0.0276     -0.0192      0.1261      0.2171     -0.0408
 <0|del|b> * <b|rxdel|0> + <0|del|b> * <b|delr+rdel|0>
 Rotatory Strengths (R) in cgs (10**-40 erg-esu-cm/Gauss)
       state          XX          YY          ZZ    R(velocity)    E-M Angle
         1         1.2775    -30.6613    -30.5468    -19.9769      140.17
         2         8.3367     12.2150     18.7090     13.0869       42.72
         3        28.3908     35.0446     58.7374     40.7242       48.91
         4       -22.0316    -49.0353    -34.4638    -35.1769      134.29
         5         4.0720     -5.5940    -13.0040     -4.8420      110.35
         6        -6.7087     -2.6356    -17.1791     -8.8411      126.74
         7         6.5288     -0.6473      3.9678      3.2831       65.66
         8        -0.0029     -0.7591     -0.5927     -0.4516      117.39
         9         2.3375     -2.6571     -2.0917     -0.8038       96.01
        10       -13.0744      7.5095      8.9188      1.1180       87.00
        11        -5.3130     -5.8122     -1.8959     -4.3404      138.12
        12       -17.2672     -2.3000      5.8163     -4.5837      100.46
        13         3.6774    -14.6273     13.5295      0.8599       86.72
        14         6.5407     -1.0572      0.9252      2.1363       75.85
        15        15.6052      0.6248     -0.7819      5.1494       74.86
        16        94.5183    -71.7992   -151.8498    -43.0436       96.05
        17        -0.0755      1.0211      0.9505      0.6320       21.15
        18        11.2857     -0.2968      7.1222      6.0370       62.04
        19        -2.9261     17.2974     13.1438      9.1717       53.91
        20         2.9081     -4.4232     -6.2560     -2.5903      106.02
        21        -1.6794     -6.0480     -5.6197     -4.4490      105.94
        22        -0.1295     -0.0614      0.3861      0.0651       90.00
        23        -0.4921     -1.1875     -1.7581     -1.1459      117.78
        24        -1.3438      2.6008      2.0900      1.1157       64.56
        25         1.0530     -2.1901     -2.7769     -1.3047      100.74
        26         1.8767     -0.0934      0.4792      0.7542       72.59
        27        -0.1345    -10.4595    -17.1605     -9.2515      108.21
        28        -0.9259     -1.5061     -5.9903     -2.8074      102.06
        29         1.1956      0.2154     -3.8552     -0.8147      102.12
        30         6.5131    -25.6864    -60.0622    -26.4118      104.18
        31        -4.3575    -67.9776   -213.0251    -95.1201      104.02
        32        31.3494     14.5075    -64.0530     -6.0654       93.45
        33       -10.1125    -10.8330     -1.3543     -7.4333      119.51
        34        19.2659     -9.1985    -22.1916     -4.0414       99.00
        35        -2.6095     10.8738    -30.6522     -7.4626       92.39
        36        -3.2262     30.8414      4.5752     10.7301       78.72
        37        99.6216    -30.3113   -135.3926    -22.0274       97.39
        38         8.2826     -0.8768     -4.6259      0.9266       86.46
        39       -21.9572    -11.7524     -3.3622    -12.3573      114.15
        40         3.3021     18.4528     -6.5053      5.0832       84.05
        41        10.6862    -12.4657    -14.4669     -5.4155       92.47
        42         3.5676     17.6997      0.2427      7.1700       77.66
        43         7.2427     27.8651     -3.8763     10.4105       77.84
        44        -2.7104    -26.5755     -6.3222    -11.8694      163.52
        45        46.8295     84.3873    -17.4007     37.9387       71.11
        46        26.4187     45.2038    -17.4368     18.0619       78.66
        47        22.1077    -21.5023     -9.9331     -3.1092       94.48
        48         6.6934     39.3765      5.1472     17.0724       78.75
        49        17.3703     37.9594     -0.4857     18.2813       57.34
        50        -4.2534     -1.4940      3.5147     -0.7442       94.51
 1/2[<0|r|b>*<b|rxdel|0> + (<0|rxdel|b>*<b|r|0>)*]
 Rotatory Strengths (R) in cgs (10**-40 erg-esu-cm/Gauss)
       state          XX          YY          ZZ     R(length)
         1       -30.3897      9.5023     -6.6889     -9.1921
         2        24.4850     19.3899      3.1151     15.6633
         3        16.0911     31.3668      9.5533     19.0037
         4       -37.8543     -3.9243    -23.4829    -21.7538
         5       -24.0699     -8.3536      9.1456     -7.7593
         6        -7.0136    -37.7955      5.9605    -12.9495
         7        -6.1073     16.6860     -6.8496      1.2430
         8        -1.9388      0.4673     -0.8046     -0.7587
         9        -6.7472      0.2396      2.8765     -1.2104
        10        25.1434      2.7505    -32.8291     -1.6451
        11        -4.3670      0.3434    -13.3032     -5.7756
        12        17.3022      6.4064    -47.4758     -7.9224
        13         3.5830     16.4509    -21.8295     -0.5985
        14        -3.7809      0.4456      9.0236      1.8961
        15        -8.2633      0.7775     23.2509      5.2550
        16      -292.2439    -34.1723    213.5010    -37.6384
        17         2.0176     -0.0120     -0.0231      0.6609
        18        -0.4746     22.4577     -3.2190      6.2547
        19        38.5245     -4.7549     -5.1126      9.5524
        20       -10.0588      3.2322      1.5008     -1.7753
        21        -5.0562      6.6802     -5.8918     -1.4226
        22         0.4605      0.0237     -0.0789      0.1351
        23        -2.6156     -1.6830      1.2756     -1.0076
        24         6.8108     -0.1304     -0.3491      2.1104
        25        -5.8825     -1.6919      4.1303     -1.1480
        26         1.9762     -0.1230      1.5412      1.1315
        27       -27.5694    -15.3512     13.4577     -9.8210
        28        -6.0466     -5.9231      6.4488     -1.8403
        29        -1.2588     -0.9765      2.6475      0.1374
        30       -93.0870     13.4026      6.3325    -24.4506
        31      -282.7839     29.6126     14.6303    -79.5136
        32       -73.0877     47.9093      9.4155     -5.2543
        33        -3.9484     -5.4389     -8.9605     -6.1159
        34       -39.1679     10.2947     10.8581     -6.0050
        35       -40.0682     51.7198    -14.2412     -0.8632
        36        14.6671     11.1686     20.5174     15.4510
        37      -158.7888    147.4687    -79.3978    -30.2393
        38        -7.4335      8.0932      0.7219      0.4605
        39       -11.3288     -9.2040     -5.4982     -8.6770
        40         7.6130    -47.4683     63.0908      7.7452
        41       -55.5994   -115.0365    145.5979     -8.3460
        42         3.5496    -17.8318     32.6792      6.1323
        43         7.6375    -48.9898     72.9183     10.5220
        44       -34.6612      0.0307     -2.3071    -12.3125
        45        15.6715    -29.9923    121.3092     35.6628
        46        -5.8577    -56.7214    117.4049     18.2752
        47       -45.0827     43.7962     -6.7382     -2.6749
        48         6.7772    -94.0456    137.6963     16.8093
        49        15.4455     -2.6644     35.4847     16.0886
        50        -0.8845    -14.1234     13.0056     -0.6674
  1/2[<0|del|b>*<b|r|0> + (<0|r|b>*<b|del|0>)*] (Au)
       state          X           Y           Z        Dip. S.   Osc.(frdel)
         1        -0.0028     -0.0001     -0.0002      0.0031      0.0021
         2        -0.0005     -0.0020      0.0000      0.0025      0.0017
         3        -0.0030     -0.0012     -0.0052      0.0095      0.0063
         4        -0.0019     -0.0007     -0.0002      0.0028      0.0019
         5        -0.0037     -0.0010     -0.0005      0.0052      0.0034
         6        -0.0004     -0.0047     -0.0003      0.0054      0.0036
         7         0.0000     -0.0016     -0.0004      0.0020      0.0013
         8        -0.0001     -0.0001      0.0000      0.0002      0.0002
         9        -0.0019      0.0000     -0.0001      0.0019      0.0013
        10        -0.0032     -0.0001     -0.0025      0.0058      0.0039
        11        -0.0001     -0.0003     -0.0006      0.0010      0.0007
        12        -0.0021     -0.0002     -0.0056      0.0078      0.0052
        13        -0.0001     -0.0036     -0.0028      0.0065      0.0043
        14        -0.0002     -0.0028     -0.0008      0.0038      0.0025
        15        -0.0005     -0.0052     -0.0014      0.0071      0.0047
        16        -0.1730     -0.0003     -0.0154      0.1887      0.1258
        17        -0.0002      0.0000      0.0000      0.0002      0.0002
        18         0.0000     -0.0040     -0.0002      0.0042      0.0028
        19        -0.0022     -0.0011     -0.0001      0.0034      0.0023
        20        -0.0004     -0.0001     -0.0007      0.0011      0.0007
        21        -0.0001     -0.0001     -0.0020      0.0022      0.0015
        22        -0.0001      0.0000      0.0000      0.0001      0.0001
        23        -0.0005     -0.0001      0.0000      0.0007      0.0004
        24        -0.0007     -0.0001      0.0000      0.0008      0.0005
        25        -0.0028      0.0000     -0.0003      0.0031      0.0020
        26        -0.0004     -0.0010     -0.0001      0.0015      0.0010
        27        -0.0147     -0.0009     -0.0008      0.0163      0.0109
        28        -0.0050     -0.0004     -0.0002      0.0055      0.0037
        29        -0.0013     -0.0005     -0.0001      0.0019      0.0012
        30        -0.0551      0.0000     -0.0001      0.0552      0.0368
        31        -0.2227      0.0001     -0.0001      0.2226      0.1484
        32        -0.0744     -0.0021     -0.0008      0.0774      0.0516
        33        -0.0045     -0.0009     -0.0004      0.0058      0.0038
        34        -0.0150     -0.0012     -0.0036      0.0198      0.0132
        35        -0.0336     -0.0541     -0.0002      0.0879      0.0586
        36        -0.0056     -0.0158     -0.0001      0.0215      0.0143
        37        -0.1183     -0.0416     -0.0113      0.1713      0.1142
        38        -0.0211     -0.0011      0.0000      0.0222      0.0148
        39        -0.0002     -0.0063     -0.0001      0.0066      0.0044
        40        -0.0012     -0.0116     -0.0038      0.0167      0.0111
        41        -0.0052     -0.0217     -0.0240      0.0509      0.0339
        42        -0.0002     -0.0011     -0.0120      0.0134      0.0089
        43        -0.0009     -0.0061     -0.0107      0.0177      0.0118
        44        -0.0033      0.0000     -0.0005      0.0037      0.0025
        45        -0.0262     -0.0006     -0.0306      0.0575      0.0383
        46        -0.0183     -0.0031     -0.0169      0.0383      0.0255
        47        -0.0115     -0.0055     -0.0002      0.0172      0.0114
        48        -0.0065     -0.0130     -0.0226      0.0420      0.0280
        49        -0.0052      0.0000     -0.0128      0.0180      0.0120
        50        -0.0002     -0.0030     -0.0041      0.0072      0.0048

 Excitation energies and oscillator strengths:

 Excited State   1:  2.004-A      1.2606 eV  983.53 nm  f=0.0015  <S**2>=0.754
     106B ->166B       -0.01280
     107B ->166B        0.03147
     129B <-166B       -0.02246
     159B <-166B        0.01325
 This state for optimization and/or second-order correction.
 Total Energy, E(TD-HF/TD-KS) =  -3327.60677495
 Copying the excited state density for this state as the 1-particle RhoCI density.

 Excited State   2:  2.005-A      1.4642 eV  846.75 nm  f=0.0023  <S**2>=0.755
     107B ->166B        0.02496
     165B ->166B        0.23103
     165B ->167B        0.02444
     126B <-166B       -0.01650
     128B <-166B       -0.01840

 Excited State   3:  2.004-A      1.6274 eV  761.87 nm  f=0.0033  <S**2>=0.754
 ## I have purposedly removed this state and onwards ##

 Excited State  50:  2.684-A      4.3210 eV  286.93 nm  f=0.0049  <S**2>=1.552
     131A ->167A       -0.01016
     138A ->169A        0.01088
     140A ->167A       -0.01139
     144A ->167A       -0.07981
 SavETr:  write IOETrn=   770 NScale= 10 NData=  16 NLR=1 NState=   50 LETran=     910.
 Leave Link  914 at Mon Nov  2 23:51:21 2020, MaxMem=  4697620480 cpu:   1143847.5
## Split Here ##
