 (Enter /mnt/data/applications/G16/g16/l101.exe)
 --------------
 LCuOTf2_preopt
 --------------
 Symbolic Z-matrix:
 Charge =  -1 Multiplicity = 2
 29                    0.38456   6.9558    7.36582
 7                     1.31633   5.75375   6.01717
 6                     1.74782   6.30018   4.70169
 1                     2.49166   7.07618   4.86685
 8                     1.90819   3.94103   4.85392
 9                    -0.3215    9.95572   10.03799
 9                    -2.4755    9.66101   9.91617
 8                    -0.5897    3.11411   8.82356
 7                    -0.25357   5.2605    8.30242
 6                     2.38435   5.05859   4.03498
 1                     2.05662   4.88107   3.01065
 1                     3.47581   5.06222   4.09167
 6                     1.37175   4.46942   5.96321
 8                    -1.03935   7.96642   8.20102
 9                    -1.56192   11.42358   9.01322
 8                     1.46831   8.52506   6.92725
 9                    -3.5043    9.13076   7.33789
 6                     0.92949   3.4489    6.99156
 9                    -2.41039   10.82819   6.51136
 6                    -0.00743   4.02937   8.03134
 6                    -1.50085   3.84709   9.70973
 1                    -1.38543   3.4408    10.71434
 1                    -2.51618   3.6766    9.34248
 9                    -2.02738   8.81752   5.76821
 9                     3.07216   10.7924   6.58829
 6                    -1.05124   5.31513   9.56089
 1                    -1.89103   5.991     9.40598
 9                     3.44922   9.25323   5.09638
 9                     4.88191   9.5798    6.70176
 9                     4.31795   8.5552    9.1384
 9                     2.3078    7.78502   9.46491
 9                     2.61928   9.92427   9.1936
 6                     0.56517   6.89282   3.95428
 6                     0.66576   8.1653    3.37929
 1                     1.5782    8.73987   3.50573
 6                    -0.40573   8.70535   2.661
 1                    -0.31708   9.69693   2.22574
 6                    -1.59183   7.97954   2.51819
 1                    -2.42822   8.40256   1.96867
 6                    -1.70356   6.71199   3.10099
 1                    -2.62715   6.14746   3.00583
 6                    -0.63183   6.17414   3.81709
 1                    -0.73679   5.19488   4.27633
 6                     0.23507   2.26344   6.27549
 1                    -0.05577   1.5133    7.01237
 1                     0.92096   1.80597   5.56116
 1                    -0.65999   2.59624   5.74118
 6                     2.20275   2.95141   7.7385
 1                     1.92508   2.1827    8.46343
 1                     2.69763   3.77557   8.26013
 1                     2.90068   2.51585   7.01879
 6                    -0.1822    5.83146   10.69394
 6                     0.97436   5.13492   11.07857
 1                     1.25111   4.21321   10.57256
 6                     1.78427   5.61849   12.10756
 1                     2.67876   5.07191   12.39423
 6                     1.44743   6.80974   12.76213
 1                     2.08151   7.19255   13.55722
 6                     0.29747   7.50771   12.38278
 1                     0.03629   8.43904   12.87758
 6                    -0.51285   7.01992   11.35204
 1                    -1.39034   7.57523   11.03951
 6                    -1.1548    9.29726   7.91901
 1                    -0.24878   9.73602   7.46891
 6                    -2.28356   9.5282    6.89249
 6                    -1.3901    10.08913   9.21984
 6                     2.78956   8.4838    7.24962
 1                     3.29517   7.52383   7.02937
 6                     3.55241   9.54124   6.4194
 6                     3.01689   8.70508   8.76715

 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     70 NQM=       70 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          63          14          12           1          16          19          19          16          14          12
 AtmWgt=  62.9295992  14.0030740  12.0000000   1.0078250  15.9949146  18.9984033  18.9984033  15.9949146  14.0030740  12.0000000
 NucSpn=           3           2           0           1           0           1           1           0           2           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=  -22.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000
 NMagM=    2.2233000   0.4037610   0.0000000   2.7928460   0.0000000   2.6288670   2.6288670   0.0000000   0.4037610   0.0000000
 AtZNuc=  29.0000000   7.0000000   6.0000000   1.0000000   8.0000000   9.0000000   9.0000000   8.0000000   7.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1          12          16          19          16          19          12          19          12
 AtmWgt=   1.0078250   1.0078250  12.0000000  15.9949146  18.9984033  15.9949146  18.9984033  12.0000000  18.9984033  12.0000000
 NucSpn=           1           1           0           0           1           0           1           0           1           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   0.0000000   2.6288670   0.0000000   2.6288670   0.0000000   2.6288670   0.0000000
 AtZNuc=   1.0000000   1.0000000   6.0000000   8.0000000   9.0000000   8.0000000   9.0000000   6.0000000   9.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12           1           1          19          19          12           1          19          19          19
 AtmWgt=  12.0000000   1.0078250   1.0078250  18.9984033  18.9984033  12.0000000   1.0078250  18.9984033  18.9984033  18.9984033
 NucSpn=           0           1           1           1           1           0           1           1           1           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.6288670   2.6288670   0.0000000   2.7928460   2.6288670   2.6288670   2.6288670
 AtZNuc=   6.0000000   1.0000000   1.0000000   9.0000000   9.0000000   6.0000000   1.0000000   9.0000000   9.0000000   9.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=          19          19          12          12           1          12           1          12           1          12
 AtmWgt=  18.9984033  18.9984033  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000
 NucSpn=           1           1           0           0           1           0           1           0           1           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.6288670   2.6288670   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000
 AtZNuc=   9.0000000   9.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000

  Atom        41          42          43          44          45          46          47          48          49          50
 IAtWgt=           1          12           1          12           1           1           1          12           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250
 NucSpn=           1           0           1           0           1           1           1           0           1           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000

  Atom        51          52          53          54          55          56          57          58          59          60
 IAtWgt=           1          12          12           1          12           1          12           1          12           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           1           0           0           1           0           1           0           1           0           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        61          62          63          64          65          66          67          68          69          70
 IAtWgt=          12           1          12           1          12          12          12           1          12          12
 AtmWgt=  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000  12.0000000  12.0000000   1.0078250  12.0000000  12.0000000
 NucSpn=           0           1           0           1           0           0           0           1           0           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   6.0000000   6.0000000   1.0000000   6.0000000   6.0000000
 Leave Link  101 at Thu Apr 23 11:39:32 2020, MaxMem= 16106127360 cpu:               7.7 elap:               0.3

## Split Here ##
 (Enter /mnt/data/applications/G16/g16/l101.exe)
 Structure from the checkpoint file:  "/scratch/Gau-106323.chk"
 --------------
 LCuOTf2_preopt
 --------------
 Charge =  0 Multiplicity = 2
 Redundant internal coordinates found in file.  (old form).
 Cu,0,0.3892073107,6.9915654634,7.3803719251
 N,0,1.2512072934,5.7700660822,6.01089652
 C,0,1.7220404123,6.2954503986,4.7088455747
 H,0,2.4418707268,7.0927895563,4.8841787545
 O,0,1.9082262177,3.9574327588,4.9014834113
 F,0,-0.2937020509,10.0411556144,10.0893900212
 F,0,-2.4086100578,9.6312598537,9.9298680526
 O,0,-0.6194711322,3.1690144052,8.8315313287
 N,0,-0.2414440532,5.3039912429,8.3310298567
 C,0,2.3997362912,5.0554676327,4.0962640763
 H,0,2.1212219063,4.860965656,3.0613299737
 H,0,3.4866430702,5.0744465021,4.1979955049
 C,0,1.3336092706,4.492438617,5.9777414646
 O,0,-0.9402253896,7.9982751909,8.2654874837
 F,0,-1.5805383023,11.413936658,9.0222361342
 O,0,1.4561054769,8.4905274292,6.8248998037
 F,0,-3.379718053,9.2367503711,7.3816437836
 C,0,0.8842658767,3.4827067586,7.0039142648
 F,0,-2.1962743932,10.8050289432,6.4699388924
 C,0,-0.0284193399,4.0742278147,8.0501131797
 C,0,-1.4986483623,3.900115036,9.7215928267
 H,0,-1.3798033814,3.4864993747,10.7221399105
 H,0,-2.520485997,3.7480324672,9.3677163439
 F,0,-1.9213672743,8.7471361404,5.8641321686
 F,0,2.9037223981,10.803892982,6.6223734207
 C,0,-1.0294644797,5.3595378427,9.5830060389
 H,0,-1.8607625805,6.0476053591,9.4333871907
 F,0,3.4261894477,9.373353101,5.0854551361
 F,0,4.7762776138,9.7245612763,6.736503124
 F,0,4.2481158148,8.5359512695,9.0625881839
 F,0,2.3188247608,7.5898370024,9.2963673188
 F,0,2.4572888576,9.7486130547,9.1772377898
 C,0,0.5538918805,6.8477208444,3.9184764112
 C,0,0.4660654848,8.2156098122,3.6663597287
 H,0,1.2295142587,8.878387934,4.0589940793
 C,0,-0.6069054425,8.7282376719,2.9409668172
 H,0,-0.6675399374,9.7957252328,2.7522404175
 C,0,-1.6037917894,7.8779508344,2.4722017078
 H,0,-2.442009746,8.2783150281,1.9098939013
 C,0,-1.5276679827,6.5097978965,2.7318844488
 H,0,-2.3045168886,5.8419099003,2.3720403851
 C,0,-0.4533243492,5.9979668208,3.4515944283
 H,0,-0.4009439471,4.9284694748,3.645889729
 C,0,0.1639979443,2.3210329922,6.2873953748
 H,0,-0.1406637227,1.5729152776,7.0207527243
 H,0,0.8383596418,1.8552495862,5.5673730404
 H,0,-0.7253043168,2.6769359035,5.7586736536
 C,0,2.1472334727,2.9640698393,7.7395734355
 H,0,1.8605156351,2.1982741868,8.4642205767
 H,0,2.6543433307,3.7799242057,8.2634429575
 H,0,2.8359837725,2.5226345602,7.0152835577
 C,0,-0.1541647451,5.8535634184,10.7165510236
 C,0,0.9291543893,5.0913681148,11.163591248
 H,0,1.1388453792,4.1221342581,10.7153716111
 C,0,1.7493050531,5.563136682,12.1827423362
 H,0,2.588530067,4.9635115393,12.5226271079
 C,0,1.4938278537,6.8048003813,12.7642469616
 H,0,2.1361865359,7.1760522057,13.5572840208
 C,0,0.4155851028,7.5662594024,12.3229130543
 H,0,0.215764216,8.5385434796,12.7627425733
 C,0,-0.4048329024,7.0912213265,11.3027454334
 H,0,-1.2282203006,7.6934823844,10.9382826268
 C,0,-1.0554136146,9.3253297741,7.9759478928
 H,0,-0.1333055848,9.7551474266,7.5530313165
 C,0,-2.151208033,9.5388828908,6.9239212404
 C,0,-1.3445291625,10.109606372,9.2585567466
 C,0,2.7691610242,8.4828159144,7.168007572
 H,0,3.3187650693,7.5586267354,6.8943116614
 C,0,3.4772964105,9.6150842323,6.4120253679
 C,0,2.9597950453,8.6106746051,8.6889823718
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     70 NQM=       70 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          63          14          12           1          16          19          19          16          14          12
 AtmWgt=  62.9295992  14.0030740  12.0000000   1.0078250  15.9949146  18.9984033  18.9984033  15.9949146  14.0030740  12.0000000
 NucSpn=           3           2           0           1           0           1           1           0           2           0
 AtZEff=  17.6900000   4.5500000   3.6000000   1.0000000   5.6000000   6.7500000   6.7500000   5.6000000   4.5500000   3.6000000
 NQMom=  -22.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000
 NMagM=    2.2233000   0.4037610   0.0000000   2.7928460   0.0000000   2.6288670   2.6288670   0.0000000   0.4037610   0.0000000
 AtZNuc=  29.0000000   7.0000000   6.0000000   1.0000000   8.0000000   9.0000000   9.0000000   8.0000000   7.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1          12          16          19          16          19          12          19          12
 AtmWgt=   1.0078250   1.0078250  12.0000000  15.9949146  18.9984033  15.9949146  18.9984033  12.0000000  18.9984033  12.0000000
 NucSpn=           1           1           0           0           1           0           1           0           1           0
 AtZEff=   1.0000000   1.0000000   3.6000000   5.6000000   6.7500000   5.6000000   6.7500000   3.6000000   6.7500000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   0.0000000   2.6288670   0.0000000   2.6288670   0.0000000   2.6288670   0.0000000
 AtZNuc=   1.0000000   1.0000000   6.0000000   8.0000000   9.0000000   8.0000000   9.0000000   6.0000000   9.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12           1           1          19          19          12           1          19          19          19
 AtmWgt=  12.0000000   1.0078250   1.0078250  18.9984033  18.9984033  12.0000000   1.0078250  18.9984033  18.9984033  18.9984033
 NucSpn=           0           1           1           1           1           0           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   6.7500000   6.7500000   3.6000000   1.0000000   6.7500000   6.7500000   6.7500000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.6288670   2.6288670   0.0000000   2.7928460   2.6288670   2.6288670   2.6288670
 AtZNuc=   6.0000000   1.0000000   1.0000000   9.0000000   9.0000000   6.0000000   1.0000000   9.0000000   9.0000000   9.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=          19          19          12          12           1          12           1          12           1          12
 AtmWgt=  18.9984033  18.9984033  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000
 NucSpn=           1           1           0           0           1           0           1           0           1           0
 AtZEff=   6.7500000   6.7500000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.6288670   2.6288670   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000
 AtZNuc=   9.0000000   9.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000

  Atom        41          42          43          44          45          46          47          48          49          50
 IAtWgt=           1          12           1          12           1           1           1          12           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250
 NucSpn=           1           0           1           0           1           1           1           0           1           1
 AtZEff=   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000

  Atom        51          52          53          54          55          56          57          58          59          60
 IAtWgt=           1          12          12           1          12           1          12           1          12           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           1           0           0           1           0           1           0           1           0           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        61          62          63          64          65          66          67          68          69          70
 IAtWgt=          12           1          12           1          12          12          12           1          12          12
 AtmWgt=  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000  12.0000000  12.0000000   1.0078250  12.0000000  12.0000000
 NucSpn=           0           1           0           1           0           0           0           1           0           0
 AtZEff=   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   3.6000000   3.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   6.0000000   6.0000000   1.0000000   6.0000000   6.0000000
 Leave Link  101 at Thu Apr 23 19:05:28 2020, MaxMem= 16106127360 cpu:               6.8 elap:               0.3

## Split Here ##
 (Enter /mnt/data/applications/G16/g16/l101.exe)
 ---------------
 homocoupled_g16
 ---------------
 Symbolic Z-matrix:
 Charge =  2 Multiplicity = 2
 Cu                    3.6167    4.8744    10.0914
 C                     3.6167    1.4004    10.0914
 C                     5.2123    4.3805    6.9724
 N                     3.7137    3.4952    8.714
 C                     5.3335    5.7555    6.7963
 H                     4.5791    6.2976    6.8401
 O                     3.624     1.4893    7.7377
 C                     7.5939    4.1331    6.6633
 H                     8.3473    3.5911    6.604
 C                     7.7068    5.5079    6.4717
 H                     8.5373    5.8837    6.2875
 C                     6.5815    6.3202    6.555
 H                     6.6632    7.2406    6.4493
 C                     3.85      3.7932    7.2541
 H                     3.1564    4.4306    6.9839
 C                     6.3509    3.5714    6.9437
 H                     6.2788    2.6595    7.1114
 C                     3.5651    2.4207    6.6151
 H                     2.6892    2.407     6.1986
 H                     4.2348    2.2028    5.9481
 C                     3.6279    2.222     8.8483
 C                     2.382     0.4919    10.1007
 H                     2.3547   -0.0026    10.9231
 H                     2.4285   -0.1189    9.3615
 H                     1.5895    1.0281    10.0233
 N                     4.6837    6.2714    11.0274
 O                     5.6307    8.2743    11.3156
 C                     6.6163    4.8002    11.7572
 C                     6.9868    4.3994    10.4749
 H                     6.7061    4.8869    9.7344
 C                     7.778     3.2676    10.3061
 H                     8.0143    2.9907    9.4503
 C                     8.2195    2.5443    11.4199
 H                     8.7578    1.7946    11.3055
 C                     7.8523    2.9484    12.6943
 H                     8.1449    2.4686    13.4353
 C                     7.0495    4.0663    12.8667
 H                     6.7983    4.3288    13.7228
 C                     5.8102    6.0458    11.9951
 H                     5.436     6.0031    12.8999
 C                     6.6045    7.343     11.864
 H                     6.928     7.6437    12.7276
 H                     7.3586    7.2321    11.264
 C                     4.652     7.5365    10.7992
 C                     2.9211    9.2389    11.1576
 H                     2.3023    9.8314    10.7244
 H                     3.583     9.7536    11.6251
 H                     2.4485    8.683     11.7815
 C                     3.6167    8.3461    10.0914
 C                     2.0211    4.3805    13.2105
 N                     3.5198    3.4952    11.4688
 C                     1.9       5.7555    13.3865
 H                     2.6544    6.2976    13.3428
 O                     3.6095    1.4893    12.4451
 C                    -0.3605    4.1331    13.5196
 H                    -1.1139    3.5911    13.5788
 C                    -0.4733    5.5079    13.7112
 H                    -1.3038    5.8837    13.8954
 C                     0.652     6.3202    13.6279
 H                     0.5703    7.2406    13.7335
 C                     3.3834    3.7932    12.9287
 H                     4.077     4.4306    13.199
 C                     0.8826    3.5714    13.2392
 H                     0.9547    2.6595    13.0714
 C                     3.6684    2.4207    13.5678
 H                     4.5443    2.407     13.9843
 H                     2.9987    2.2028    14.2348
 C                     3.6056    2.222     11.3346
 C                     4.8515    0.4919    10.0821
 H                     4.8788   -0.0026    9.2597
 H                     4.8049   -0.1189    10.8213
 H                     5.644     1.0281    10.1596
 N                     2.5498    6.2714    9.1554
 O                     1.6028    8.2743    8.8673
 C                     0.6172    4.8002    8.4257
 C                     0.2466    4.3994    9.7079
 H                     0.5274    4.8869    10.4484
 C                    -0.5445    3.2676    9.8767
 H                    -0.7808    2.9907    10.7326
 C                    -0.986     2.5443    8.763
 H                    -1.5244    1.7946    8.8774
 C                    -0.6188    2.9484    7.4886
 H                    -0.9115    2.4686    6.7476
 C                     0.184     4.0663    7.3161
 H                     0.4352    4.3288    6.4601
 C                     1.4233    6.0458    8.1877
 H                     1.7975    6.0031    7.283
 C                     0.6289    7.343     8.3189
 H                     0.3054    7.6437    7.4553
 H                    -0.1251    7.2321    8.9189
 C                     2.5815    7.5365    9.3837
 C                     4.3124    9.2389    9.0253
 H                     4.9312    9.8314    9.4585
 H                     3.6505    9.7536    8.5577
 H                     4.7849    8.683     8.4014

 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     95 NQM=       95 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          63          12          12          14          12           1          16          12           1          12
 AtmWgt=  62.9295992  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250  15.9949146  12.0000000   1.0078250  12.0000000
 NucSpn=           3           0           0           2           0           1           0           0           1           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=  -22.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.2233000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   0.0000000   0.0000000   2.7928460   0.0000000
 AtZNuc=  29.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000   8.0000000   6.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12           1          12           1          12           1          12           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250
 NucSpn=           1           0           1           0           1           0           1           0           1           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12           1           1           1          14          16          12          12           1
 AtmWgt=  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  14.0030740  15.9949146  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           1           1           1           2           0           0           0           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   7.0000000   8.0000000   6.0000000   6.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=          12           1          12           1          12           1          12           1          12           1
 AtmWgt=  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           1           0           1           0           1           0           1           0           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        41          42          43          44          45          46          47          48          49          50
 IAtWgt=          12           1           1          12          12           1           1           1          12          12
 AtmWgt=  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           0           1           1           0           0           1           1           1           0           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        51          52          53          54          55          56          57          58          59          60
 IAtWgt=          14          12           1          16          12           1          12           1          12           1
 AtmWgt=  14.0030740  12.0000000   1.0078250  15.9949146  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           2           0           1           0           0           1           0           1           0           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.4037610   0.0000000   2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   7.0000000   6.0000000   1.0000000   8.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        61          62          63          64          65          66          67          68          69          70
 IAtWgt=          12           1          12           1          12           1           1          12          12           1
 AtmWgt=  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250
 NucSpn=           0           1           0           1           0           1           1           0           0           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000

  Atom        71          72          73          74          75          76          77          78          79          80
 IAtWgt=           1           1          14          16          12          12           1          12           1          12
 AtmWgt=   1.0078250   1.0078250  14.0030740  15.9949146  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000
 NucSpn=           1           1           2           0           0           0           1           0           1           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000
 AtZNuc=   1.0000000   1.0000000   7.0000000   8.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000

  Atom        81          82          83          84          85          86          87          88          89          90
 IAtWgt=           1          12           1          12           1          12           1          12           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250
 NucSpn=           1           0           1           0           1           0           1           0           1           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000

  Atom        91          92          93          94          95
 IAtWgt=          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           1           1           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 Leave Link  101 at Thu Apr 16 17:56:10 2020, MaxMem= 16106127360 cpu:               9.5 elap:               0.4

## Split Here ##
 (Enter /mnt/data/applications/G16/g16/l101.exe)
 -----------------
 heterocoupled_g16
 -----------------
 Symbolic Z-matrix:
 Charge =  2 Multiplicity = 2
 Cu                    3.6167    4.8744    10.0914
 C                     3.6167    1.4004    10.0914
 C                     5.2279    4.4116    7.0631
 N                     3.5894    3.5235    8.6417
 C                     5.3254    5.7891    6.9136
 H                     4.5562    6.3074    6.9808
 O                     3.3599    1.5642    7.6893
 C                     7.5895    4.2603    6.6366
 H                     8.3569    3.7413    6.5549
 C                     7.6898    5.6459    6.5355
 H                     8.513     6.0508    6.3828
 C                     6.5397    6.4115    6.6667
 H                     6.5831    7.3373    6.5894
 C                     3.8493    3.8144    7.195
 H                     3.1796    4.4448    6.8566
 C                     6.3689    3.6378    6.8566
 H                     6.3125    2.7096    6.8663
 C                     3.6413    2.4337    6.5482
 H                     2.8957    2.4477    5.9279
 H                     4.439     2.145     6.0778
 C                     3.5978    2.2518    8.7978
 C                     2.1721    0.6839    10.0942
 H                     2.0352    0.2429    10.9359
 H                     2.1337    0.0383    9.3847
 H                     1.4873    1.3439    9.9637
 C                     3.6167    8.3461    10.0914
 N                     5.0033    6.1541    9.8307
 O                     5.9921    8.1464    9.9288
 C                     6.8704    4.8511    10.8147
 C                     6.6229    5.1274    12.1543
 H                     6.1422    5.8874    12.3912
 C                     7.0937    4.2676    13.1397
 H                     6.9281    4.4524    14.036
 C                     7.8121    3.1315    12.7856
 H                     8.1272    2.5563    13.4449
 C                     8.0597    2.8553    11.446
 H                     8.5403    2.0952    11.2091
 C                     7.5888    3.7151    10.4606
 H                     7.7545    3.5303    9.5643
 C                     6.4529    5.8197    9.7389
 H                     6.636     5.4234    8.8615
 C                     7.1027    7.2231    9.8071
 H                     7.6921    7.2918    10.5745
 H                     7.6136    7.4046    9.0028
 C                     4.8726    7.4345    9.9427
 C                     3.7477    9.169     11.3431
 H                     4.6013    9.6081    11.3496
 H                     3.6761    8.5972    12.1109
 H                     3.0491    9.827     11.368
 C                     2.0056    4.4116    13.1198
 N                     3.6441    3.5235    11.5411
 C                     1.9081    5.7891    13.2693
 H                     2.6773    6.3074    13.202
 O                     3.8736    1.5642    12.4936
 C                    -0.356     4.2603    13.5463
 H                    -1.1234    3.7413    13.628
 C                    -0.4563    5.6459    13.6473
 H                    -1.2795    6.0508    13.8
 C                     0.6938    6.4115    13.5162
 H                     0.6503    7.3373    13.5935
 C                     3.3842    3.8144    12.9879
 H                     4.0539    4.4448    13.3263
 C                     0.8645    3.6378    13.3262
 H                     0.921     2.7096    13.3165
 C                     3.5922    2.4337    13.6347
 H                     4.3378    2.4477    14.255
 H                     2.7945    2.145     14.105
 C                     3.6357    2.2518    11.3851
 C                     5.0614    0.6839    10.0886
 H                     5.1983    0.2429    9.247
 H                     5.0998    0.0383    10.7981
 H                     5.7462    1.3439    10.2192
 N                     2.2302    6.1541    10.3522
 O                     1.2413    8.1464    10.254
 C                     0.363     4.8511    9.3682
 C                     0.6106    5.1274    8.0286
 H                     1.0913    5.8874    7.7916
 C                     0.1398    4.2676    7.0431
 H                     0.3054    4.4524    6.1469
 C                    -0.5786    3.1315    7.3973
 H                    -0.8937    2.5563    6.7379
 C                    -0.8262    2.8553    8.7368
 H                    -1.3069    2.0952    8.9738
 C                    -0.3554    3.7151    9.7223
 H                    -0.521     3.5303    10.6186
 C                     0.7806    5.8197    10.444
 H                     0.5975    5.4234    11.3214
 C                     0.1307    7.2231    10.3757
 H                    -0.4586    7.2918    9.6084
 H                    -0.3802    7.4046    11.1801
 C                     2.3609    7.4345    10.2402
 C                     3.4858    9.169     8.8397
 H                     2.6322    9.6081    8.8333
 H                     3.5573    8.5972    8.0719
 H                     4.1844    9.827     8.8148

 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     95 NQM=       95 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          63          12          12          14          12           1          16          12           1          12
 AtmWgt=  62.9295992  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250  15.9949146  12.0000000   1.0078250  12.0000000
 NucSpn=           3           0           0           2           0           1           0           0           1           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=  -22.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.2233000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   0.0000000   0.0000000   2.7928460   0.0000000
 AtZNuc=  29.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000   8.0000000   6.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12           1          12           1          12           1          12           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250
 NucSpn=           1           0           1           0           1           0           1           0           1           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12           1           1           1          12          14          16          12          12
 AtmWgt=  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  14.0030740  15.9949146  12.0000000  12.0000000
 NucSpn=           0           0           1           1           1           0           2           0           0           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   7.0000000   8.0000000   6.0000000   6.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1          12           1          12           1          12           1          12           1          12
 AtmWgt=   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000
 NucSpn=           1           0           1           0           1           0           1           0           1           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000
 AtZNuc=   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000

  Atom        41          42          43          44          45          46          47          48          49          50
 IAtWgt=           1          12           1           1          12          12           1           1           1          12
 AtmWgt=   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           1           0           1           1           0           0           1           1           1           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        51          52          53          54          55          56          57          58          59          60
 IAtWgt=          14          12           1          16          12           1          12           1          12           1
 AtmWgt=  14.0030740  12.0000000   1.0078250  15.9949146  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           2           0           1           0           0           1           0           1           0           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.4037610   0.0000000   2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   7.0000000   6.0000000   1.0000000   8.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        61          62          63          64          65          66          67          68          69          70
 IAtWgt=          12           1          12           1          12           1           1          12          12           1
 AtmWgt=  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250
 NucSpn=           0           1           0           1           0           1           1           0           0           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000

  Atom        71          72          73          74          75          76          77          78          79          80
 IAtWgt=           1           1          14          16          12          12           1          12           1          12
 AtmWgt=   1.0078250   1.0078250  14.0030740  15.9949146  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000
 NucSpn=           1           1           2           0           0           0           1           0           1           0
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000
 AtZNuc=   1.0000000   1.0000000   7.0000000   8.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000

  Atom        81          82          83          84          85          86          87          88          89          90
 IAtWgt=           1          12           1          12           1          12           1          12           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250
 NucSpn=           1           0           1           0           1           0           1           0           1           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000

  Atom        91          92          93          94          95
 IAtWgt=          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           1           1           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 Leave Link  101 at Sat Apr 18 03:29:15 2020, MaxMem= 16106127360 cpu:              17.8 elap:               0.8
