%chk=000185457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185457

0 1
S 1.245760 0.844384 1.331633
O 0.032022 -3.166538 -2.028908
O -2.039746 -3.146052 1.967370
O 2.731984 -2.376732 1.358383
O 2.122284 1.594423 -1.026488
O -2.810560 1.066826 0.229179
O -0.807801 0.074483 0.067859
N 0.667316 -3.821429 0.069270
N 2.511308 -1.384706 -0.684384
N -2.116836 -2.484406 -0.223577
C 2.312461 -2.667947 -1.375085
C -0.652931 -4.377793 0.403071
C 0.892682 -3.215285 -1.158807
C -1.639691 -3.278622 0.826606
C 2.681969 -1.346261 0.697398
C 2.855487 0.023869 1.299445
C -2.891768 -1.278030 0.081115
C 0.199516 2.810439 -0.235250
C 1.288586 1.813829 -0.187321
C -0.425956 3.050602 -1.471674
C -0.212827 3.506054 0.910762
C -1.479756 3.962484 -1.550853
C -1.267347 4.419935 0.821110
C -1.902152 4.645555 -0.404455
C -2.010119 -0.045300 0.119067
H 3.071174 -3.413416 -1.028821
H 2.470800 -2.528842 -2.471809
H -1.063231 -4.951873 -0.464392
H -0.545753 -5.099669 1.248769
H 1.334220 -3.700631 0.852381
H 2.344397 -0.533630 -1.231790
H 3.215041 -0.069422 2.350498
H 3.617113 0.628106 0.760731
H -1.677094 -2.530001 -1.158138
H -3.405131 -1.387226 1.078544
H -3.704582 -1.141478 -0.673428
H -0.082354 2.520781 -2.363835
H 0.286152 3.351689 1.871032
H -1.968364 4.147674 -2.507780
H -1.589331 4.963614 1.709777
H -2.723826 5.360321 -0.468916
H -2.293314 1.919825 0.269513


%chk=000185457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185457

0 1
S 1.747330 1.079263 1.632960
O -0.110156 -3.424604 -1.936346
O -2.162440 -2.832336 2.113572
O 2.910010 -2.387278 1.342361
O 1.918221 1.416619 -1.074143
O -3.076266 0.964101 -0.588979
O -0.991721 -0.065639 -0.641948
N 0.629835 -3.651848 0.264176
N 2.478358 -1.411677 -0.727090
N -2.186047 -2.595091 -0.215431
C 2.182994 -2.693406 -1.390609
C -0.635544 -4.227494 0.756202
C 0.797690 -3.284684 -1.045490
C -1.733339 -3.157370 0.966054
C 2.855787 -1.352675 0.590561
C 3.238556 0.031785 1.110174
C -3.030231 -1.411731 -0.200077
C 0.241343 2.819992 -0.027756
C 1.323793 1.797649 -0.029829
C -0.292115 3.213565 -1.286625
C -0.284293 3.385180 1.163382
C -1.348939 4.145269 -1.348089
C -1.340929 4.318495 1.098247
C -1.878508 4.698012 -0.154208
C -2.229469 -0.143324 -0.498271
H 2.967547 -3.420011 -1.107685
H 2.204962 -2.539735 -2.479610
H -0.988650 -4.982412 0.029144
H -0.451411 -4.710898 1.727068
H 1.401358 -3.432874 0.922502
H 2.311925 -0.521166 -1.219419
H 3.833483 -0.086339 2.026777
H 3.787435 0.618074 0.355431
H -1.697761 -2.874885 -1.086082
H -3.472199 -1.315505 0.809670
H -3.861909 -1.483617 -0.924062
H 0.126641 2.768123 -2.194201
H 0.128062 3.103048 2.138333
H -1.755601 4.446643 -2.319207
H -1.744664 4.748719 2.020356
H -2.699805 5.421095 -0.201822
H -2.543530 1.790574 -0.762191


