    2    2    1    1
  0.1181995E+02  0.4970986E-09  0.2485493E-09  0.2485493E-09  0.5000000E-15
   1.0000000000000000E-004
  CAR 
 dft-agent Fe scf                        
     16     21     16

  0.3742002E-15  0.3742002E-15  0.3742002E-15  0.1562500E-01
    1       -2.715469   1.000000
    2        1.290823   1.000000
    3        2.978973   1.000000
    4        4.010553   1.000000
    5        4.045414   1.000000
    6        4.078396   1.000000
    7        5.517505   0.486011
    8        5.518907   0.478107
    9        5.520772   0.467607
   10        5.721328   0.001764
   11        5.969060   0.000000
   12        6.662354   0.000000
   13       12.989491   0.000000
   14       23.469211   0.000000
   15       25.263959   0.000000
   16       28.536517   0.000000

  0.2500000E+00  0.3747315E-15  0.3746691E-15  0.3125000E-01
    1       -2.096757   1.000000
    2        1.030887   1.000000
    3        3.130061   1.000000
    4        3.906252   1.000000
    5        4.000903   1.000000
    6        4.342893   1.000000
    7        4.497673   1.000000
    8        5.375590   0.975690
    9        5.481623   0.681670
   10        5.536195   0.382320
   11        5.677473   0.010799
   12        6.203312   0.000000
   13       15.778825   0.000000
   14       24.223994   0.000000
   15       26.335164   0.000000
   16       26.633682   0.000000

  0.5000000E+00  0.3952324E-15  0.3819237E-15  0.1562500E-01
    1       -0.460303   1.000000
    2       -0.460303   1.000000
    3        3.507868   1.000000
    4        3.507868   1.000000
    5        3.824226   1.000000
    6        3.824226   1.000000
    7        5.212233   0.999991
    8        5.212233   0.999991
    9        5.313263   0.997837
   10        5.313263   0.997837
   11        5.592622   0.136234
   12        5.592622   0.136234
   13       21.046262   0.000000
   14       21.046262   0.000000
   15       26.296955   0.000000
   16       26.296955   0.000000

  0.3862048E-15  0.2500000E+00  0.3620091E-15  0.1250000E+00
    1       -0.461555   1.000000
    2        2.069607   1.000000
    3        2.970942   1.000000
    4        3.474494   1.000000
    5        3.502397   1.000000
    6        3.848275   1.000000
    7        5.238782   0.999953
    8        5.299202   0.998864
    9        5.386851   0.965056
   10        5.591233   0.140573
   11        5.828643   0.000005
   12        8.256295   0.000000
   13       16.456801   0.000000
   14       17.281877   0.000000
   15       21.047163   0.000000
   16       24.762773   0.000000

  0.2500000E+00  0.2500000E+00  0.4229708E-15  0.6250000E-01
    1        0.806998   1.000000
    2        0.806999   1.000000
    3        3.256730   1.000000
    4        3.256731   1.000000
    5        3.624910   1.000000
    6        3.624912   1.000000
    7        5.268165   0.999760
    8        5.268166   0.999759
    9        5.734234   0.000967
   10        5.734236   0.000967
   11        6.240337   0.000000
   12        6.240340   0.000000
   13       18.549905   0.000000
   14       18.549906   0.000000
   15       22.238611   0.000000
   16       22.238612   0.000000

 -0.2500000E+00  0.2500000E+00  0.3707486E-15  0.6250000E-01
    1       -0.949873   1.000000
    2        2.320354   1.000000
    3        3.030684   1.000000
    4        3.528475   1.000000
    5        3.695866   1.000000
    6        3.701887   1.000000
    7        5.078087   1.000000
    8        5.196345   0.999997
    9        5.562162   0.252505
   10        5.622522   0.064226
   11        5.829097   0.000004
   12       10.574845   0.000000
   13       13.193017   0.000000
   14       16.335528   0.000000
   15       23.685240   0.000000
   16       24.255194   0.000000

  0.3088915E-15  0.5000000E+00  0.4006658E-15  0.3125000E-01
    1        1.301574   1.000000
    2        1.301579   1.000000
    3        2.948327   1.000000
    4        2.948329   1.000000
    5        5.492093   0.627146
    6        5.492095   0.627135
    7        5.719154   0.001946
    8        5.719158   0.001945
    9        5.983134   0.000000
   10        5.983135   0.000000
   11        6.698313   0.000000
   12        6.698315   0.000000
   13       12.990710   0.000000
   14       12.990713   0.000000
   15       23.451061   0.000000
   16       23.451062   0.000000

  0.2500000E+00  0.5000000E+00  0.3940426E-15  0.6250000E-01
    1        1.583663   1.000000
    2        1.583667   1.000000
    3        3.022460   1.000000
    4        3.022462   1.000000
    5        4.347548   1.000000
    6        4.347552   1.000000
    7        5.437325   0.864080
    8        5.437327   0.864073
    9        5.941465   0.000000
   10        5.941466   0.000000
   11        7.771847   0.000000
   12        7.771848   0.000000
   13       13.955759   0.000000
   14       13.955761   0.000000
   15       20.966743   0.000000
   16       20.966743   0.000000

  0.5000000E+00  0.5000000E+00  0.4187833E-15  0.3125000E-01
    1        2.084672   1.000000
    2        2.084672   1.000000
    3        2.967148   1.000000
    4        2.967148   1.000000
    5        3.481671   1.000000
    6        3.481671   1.000000
    7        5.359380   0.986137
    8        5.359380   0.986137
    9        5.845912   0.000001
   10        5.845912   0.000001
   11        8.280722   0.000000
   12        8.280722   0.000000
   13       16.442305   0.000000
   14       16.442305   0.000000
   15       17.292699   0.000000
   16       17.292699   0.000000

  0.4417160E-15  0.2500000E+00  0.2500000E+00  0.3125000E-01
    1        2.045146   1.000000
    2        2.045147   1.000000
    3        3.005123   1.000000
    4        3.005125   1.000000
    5        3.502709   1.000000
    6        3.502709   1.000000
    7        5.384925   0.967108
    8        5.384927   0.967106
    9        5.804014   0.000022
   10        5.804016   0.000022
   11        8.271857   0.000000
   12        8.271858   0.000000
   13       16.479846   0.000000
   14       16.479847   0.000000
   15       17.257044   0.000000
   16       17.257045   0.000000

  0.2500000E+00  0.2500000E+00  0.2500000E+00  0.6250000E-01
    1        1.474369   1.000000
    2        2.544357   1.000000
    3        2.962583   1.000000
    4        3.266995   1.000000
    5        3.279160   1.000000
    6        3.904662   1.000000
    7        4.858447   1.000000
    8        5.684839   0.008163
    9        5.737132   0.000842
   10        5.763756   0.000218
   11        6.809189   0.000000
   12       10.747076   0.000000
   13       14.750304   0.000000
   14       15.793812   0.000000
   15       19.138990   0.000000
   16       19.348727   0.000000

  0.5000000E+00  0.2500000E+00  0.2500000E+00  0.3125000E-01
    1        1.213232   1.000000
    2        2.933610   1.000000
    3        2.962161   1.000000
    4        2.990420   1.000000
    5        3.539350   1.000000
    6        4.409239   1.000000
    7        4.475571   1.000000
    8        5.212896   0.999990
    9        5.756341   0.000322
   10        5.759751   0.000269
   11        6.543363   0.000000
   12       14.105655   0.000000
   13       14.124225   0.000000
   14       14.148841   0.000000
   15       16.127197   0.000000
   16       22.243579   0.000000

  0.4995723E-15  0.5000000E+00  0.2500000E+00  0.1250000E+00
    1        2.059927   1.000000
    2        2.168197   1.000000
    3        2.679901   1.000000
    4        2.998792   1.000000
    5        3.482637   1.000000
    6        4.387268   1.000000
    7        5.021873   1.000000
    8        5.353197   0.988948
    9        5.827011   0.000005
   10        6.563937   0.000000
   11        8.297687   0.000000
   12       10.771058   0.000000
   13       13.414463   0.000000
   14       16.462048   0.000000
   15       17.270735   0.000000
   16       19.051294   0.000000

  0.2500000E+00  0.5000000E+00  0.2500000E+00  0.6250000E-01
    1        1.956497   1.000000
    2        2.258065   1.000000
    3        2.326538   1.000000
    4        2.912910   1.000000
    5        3.378167   1.000000
    6        4.518895   1.000000
    7        5.543930   0.341351
    8        5.600310   0.113886
    9        5.688687   0.007026
   10        6.276483   0.000000
   11        8.044373   0.000000
   12       11.194331   0.000000
   13       15.357500   0.000000
   14       16.064484   0.000000
   15       16.420977   0.000000
   16       19.762772   0.000000

 -0.2500000E+00  0.5000000E+00  0.2500000E+00  0.6250000E-01
    1        2.178177   1.000000
    2        2.178181   1.000000
    3        3.122058   1.000000
    4        3.122059   1.000000
    5        3.622973   1.000000
    6        3.622976   1.000000
    7        5.191601   0.999998
    8        5.191603   0.999998
    9        6.201454   0.000000
   10        6.201459   0.000000
   11        9.184975   0.000000
   12        9.184976   0.000000
   13       14.453217   0.000000
   14       14.453219   0.000000
   15       18.163924   0.000000
   16       18.163924   0.000000

  0.4080210E-15 -0.2500000E+00  0.2500000E+00  0.3125000E-01
    1       -0.463568   1.000000
    2        2.151421   1.000000
    3        2.680723   1.000000
    4        3.442876   1.000000
    5        3.871444   1.000000
    6        4.418524   1.000000
    7        5.049251   1.000000
    8        5.266562   0.999779
    9        5.280364   0.999548
   10        5.593320   0.134089
   11        6.528673   0.000000
   12       10.754881   0.000000
   13       13.421392   0.000000
   14       19.050440   0.000000
   15       21.047134   0.000000
   16       22.418724   0.000000

  0.2500000E+00 -0.2500000E+00  0.2500000E+00  0.6250000E-01
    1        0.043319   1.000000
    2        2.059604   1.000000
    3        2.812740   1.000000
    4        3.767789   1.000000
    5        3.865856   1.000000
    6        4.487743   1.000000
    7        4.736479   1.000000
    8        4.930467   1.000000
    9        5.201604   0.999995
   10        5.943297   0.000000
   11        6.026206   0.000000
   12        8.219784   0.000000
   13       17.165708   0.000000
   14       19.965065   0.000000
   15       21.481669   0.000000
   16       22.677202   0.000000

  0.5000000E+00 -0.2500000E+00  0.2500000E+00  0.3125000E-01
    1        1.213287   1.000000
    2        1.213288   1.000000
    3        3.535760   1.000000
    4        3.535763   1.000000
    5        4.441179   1.000000
    6        4.441183   1.000000
    7        4.444265   1.000000
    8        4.444265   1.000000
    9        5.213045   0.999990
   10        5.213049   0.999990
   11        6.546224   0.000000
   12        6.546227   0.000000
   13       22.263037   0.000000
   14       22.263038   0.000000
   15       22.263417   0.000000
   16       22.263418   0.000000

  0.3088915E-15  0.5000000E+00  0.5000000E+00  0.1562500E-01
    1        1.309649   1.000000
    2        1.619969   1.000000
    3        1.624293   1.000000
    4        2.916366   1.000000
    5        5.463676   0.766135
    6        5.722856   0.001645
    7        6.000895   0.000000
    8        6.396565   0.000000
    9        6.431986   0.000000
   10        6.463968   0.000000
   11        6.731217   0.000000
   12       12.991095   0.000000
   13       15.164954   0.000000
   14       15.199103   0.000000
   15       15.231875   0.000000
   16       21.045935   0.000000

  0.2500000E+00  0.5000000E+00  0.5000000E+00  0.3125000E-01
    1        1.683700   1.000000
    2        1.871051   1.000000
    3        1.888573   1.000000
    4        3.302422   1.000000
    5        4.014619   1.000000
    6        5.152226   1.000000
    7        5.689176   0.006892
    8        5.886306   0.000000
    9        6.502680   0.000000
   10        6.691897   0.000000
   11        8.158246   0.000000
   12       13.060740   0.000000
   13       13.541536   0.000000
   14       14.313326   0.000000
   15       16.348072   0.000000
   16       21.707592   0.000000

  0.5000000E+00  0.5000000E+00  0.5000000E+00  0.1562500E-01
    1        2.179038   1.000000
    2        2.179038   1.000000
    3        2.685197   1.000000
    4        2.685197   1.000000
    5        4.355416   1.000000
    6        4.355416   1.000000
    7        4.995908   1.000000
    8        4.995908   1.000000
    9        6.596794   0.000000
   10        6.596794   0.000000
   11       10.789927   0.000000
   12       10.789927   0.000000
   13       13.406456   0.000000
   14       13.406456   0.000000
   15       19.052637   0.000000
   16       19.052637   0.000000
