%chk=000131625.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131625

0 1
 S   -3.607800       1.302600      -1.098200    
 O    2.493800       4.122200     -0.5362000    
 O  -0.4377000       2.693200      0.8651000    
 O   -3.635100      0.6590000      -2.397800    
 O   -4.803000       1.932700     -0.5708000    
 O    3.850300       3.663300       1.213000    
 N    1.251300       1.820000     -0.4712000    
 N   -2.320400       2.418500      -1.051600    
 N   0.8008000      -4.399900      -1.928800    
 N    1.341300      -2.462700      -3.118900    
 C    2.329800       1.928600      0.4849000    
 C    3.393900      0.8502000      0.2431000    
 C    2.838700     -0.5519000      0.3158000    
 C  -0.9545000       1.986100      -1.382300    
 C  -5.0799999E-02   2.214600     -0.1978000    
 C    2.345700      -1.167900     -0.8344000    
 C    2.968500       3.308900      0.4374000    
 C    2.819800      -1.231700       1.533700    
 C   -3.088600      0.1043000      9.3000002E-02
 C    1.833600      -2.463500     -0.7667000    
 C    2.307900      -2.527500       1.601500    
 C    1.814900      -3.143400      0.4511000    
 C   -3.450600      0.2495000       1.432100    
 C   -2.316300     -0.9864000     -0.3064000    
 C   -2.268100      -1.786700       1.972600    
 C   -3.040500     -0.6961000       2.372100    
 C   -1.906000      -1.931900      0.6334000    
 C    1.318800      -3.106500      -1.965200    
 C   -1.829500      -2.797800       2.977600    
 H    1.894800       1.819400       1.486400    
 H    4.209000      0.9539000      0.9717000    
 H    3.867800      0.9994000     -0.7371000    
 H    1.482200       1.532200      -1.417900    
 H  -0.5987000       2.607400      -2.211900    
 H  -0.9040000      0.9451000      -1.705700    
 H    2.375000     -0.6260000      -1.776200    
 H    3.198800     -0.7612000       2.437000    
 H   -2.437200       3.334100     -0.6018000    
 H    2.291500      -3.055500       2.550500    
 H    1.426900      -4.150000      0.5604000    
 H   -4.045100       1.094900       1.766500    
 H   -2.027000      -1.125200      -1.344100    
 H   -3.327700     -0.5729000       3.412900    
 H   -1.313200      -2.781700      0.3072000    
 H   -2.647900      -3.491400       3.194800    
 H  -0.9724000      -3.376800       2.617500    
 H   -1.520100      -2.310700       3.908500    
 H    2.935800       4.997800     -0.5307000    
 H   0.4475000      -4.832000      -2.776400    
 H   0.7438000      -4.961900      -1.088900    
 H   0.9409000      -3.075800      -3.837600    


%chk=000131625-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131625

0 1
S -3.210433 0.786911 -1.234010
O 3.365289 4.305136 -0.943821
O 0.252087 1.557922 0.926160
O -2.610728 -0.017747 -2.522370
O -4.619456 1.574788 -1.358463
O 4.411229 3.921185 1.097898
N 1.770566 2.182252 -0.731481
N -1.908474 2.037478 -0.720263
N 0.656729 -3.834112 -1.959176
N -0.020711 -1.503379 -1.965394
C 2.942759 2.174675 0.146024
C 4.029750 1.107958 -0.264502
C 3.544960 -0.325760 -0.123923
C -0.590739 1.857734 -1.363530
C 0.504015 1.856615 -0.282134
C 2.520463 -0.815431 -0.962693
C 3.636202 3.537894 0.199463
C 4.088101 -1.195421 0.857636
C -3.359758 -0.377931 0.252994
C 1.994563 -2.118168 -0.808388
C 3.604885 -2.516942 0.989853
C 2.553614 -2.981800 0.166841
C -4.567520 -0.363790 0.968737
C -2.273357 -1.208701 0.571769
C -3.617984 -2.097835 2.444042
C -4.684357 -1.235437 2.072916
C -2.419042 -2.069138 1.683076
C 0.800258 -2.482580 -1.642354
C -3.767722 -3.042373 3.623016
H 2.580187 1.940550 1.162662
H 4.914433 1.277411 0.375520
H 4.331273 1.317499 -1.309755
H 1.885892 2.554513 -1.676699
H -0.421477 2.664457 -2.101498
H -0.527200 0.880067 -1.899205
H 2.076368 -0.184847 -1.736302
H 4.885015 -0.837443 1.520651
H -1.816037 1.956674 0.315836
H 4.032230 -3.177797 1.751998
H 2.145096 -3.987160 0.324352
H -5.376640 0.308998 0.666044
H -1.347010 -1.186757 -0.017250
H -5.613967 -1.243611 2.654053
H -1.582929 -2.719071 1.965546
H -4.382199 -3.921791 3.349325
H -2.789450 -3.415679 3.970545
H -4.267942 -2.548725 4.475169
H 3.855867 5.169394 -0.892981
H -0.159033 -4.157194 -2.476093
H 1.420708 -4.490368 -1.810782
H -0.847474 -1.750223 -2.543862


