%chk=000054907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054907

0 1
 S   -4.016500     -4.8000002E-03  -1.860300    
 S   -6.823000     -0.9650000      -1.229000    
 O    3.724900      -4.437500       1.188400    
 O    4.147100      -4.495700     -0.9651000    
 N    2.374300       2.463800     -0.3820000    
 N   0.2725000       1.800300      0.5765000    
 N   -4.987900     -0.1197000      0.5262000    
 N    2.595400       3.773500     -0.3740000    
 N    4.473300       2.640300      2.5699999E-02
 N    3.894100       3.880500     -0.1213000    
 N    3.894000      -3.860600      8.7099999E-02
 C    1.025100       1.953300     -0.6341000    
 C   -1.055600       1.318300      0.5939000    
 C   -2.997000      0.4959000     -0.5630000    
 C    3.501300       1.773400     -0.1417000    
 C   -1.676800      0.9720000     -0.6088000    
 C   -3.692600      0.3632000      0.6425000    
 C    3.601400      0.3376000     -8.3400004E-02
 C   -1.727400       1.194800       1.805100    
 C   -3.041600      0.7202000       1.843300    
 C    3.417500     -0.3278000       1.129900    
 C    3.882400     -0.3916000      -1.240000    
 C   -5.261100     -0.3454000     -0.7376000    
 C    3.514400      -1.718100       1.186300    
 C    3.979200      -1.781900      -1.183600    
 C    3.795300      -2.445200      2.9600000E-02
 C   -7.705400      -1.129600      0.3563000    
 C   -9.107300      -1.664000      0.1329000    
 H    1.138300       1.001900      -1.165300    
 H   0.5492000       2.672400      -1.312400    
 H   0.6953000       2.038000       1.467100    
 H   -1.180300       1.057200      -1.569700    
 H   -1.239400       1.465600       2.738600    
 H   -3.557200      0.6277000       2.795000    
 H    3.196900      0.2250000       2.040200    
 H    4.028000      0.1110000      -2.193400    
 H    3.364600      -2.201000       2.148600    
 H    4.199200      -2.315600      -2.104600    
 H   -7.758400     -0.1507000      0.8438000    
 H   -7.151500      -1.811800       1.009300    
 H   -9.627700      -1.758600       1.091700    
 H   -9.089900      -2.654900     -0.3335000    
 H   -9.697600     -0.9918000     -0.4991000    


%chk=000054907-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054907

0 1
S -3.722818 -0.187120 -1.865096
S -6.466357 -1.466611 -1.040427
O 1.846741 -4.602190 0.005049
O 4.075991 -4.766211 -0.454261
N 2.580470 2.643202 -0.351237
N 0.318542 2.475649 0.473340
N -4.703680 -0.139163 0.657525
N 3.212346 3.903258 -0.247410
N 4.723680 2.258760 0.108391
N 4.502419 3.642909 0.032676
N 3.007998 -4.083140 -0.212900
C 1.149657 2.626418 -0.708741
C -0.943661 1.839293 0.489986
C -2.768045 0.619601 -0.550578
C 3.519469 1.651451 -0.125951
C -1.527460 1.271597 -0.676877
C -3.464999 0.531808 0.696566
C 3.338982 0.194280 -0.142187
C -1.636284 1.758003 1.739758
C -2.880991 1.119651 1.843673
C 2.084535 -0.428609 0.106373
C 4.488126 -0.609214 -0.391918
C -4.995530 -0.568119 -0.548567
C 1.972685 -1.831400 0.083164
C 4.385861 -2.009601 -0.416540
C 3.123848 -2.601152 -0.184460
C -7.338044 -1.573366 0.654983
C -8.659667 -2.328254 0.474408
H 0.969821 1.784808 -1.397670
H 0.979197 3.573703 -1.256710
H 0.530378 3.105856 1.249248
H -1.051599 1.359045 -1.657318
H -1.177141 2.196560 2.633591
H -3.406801 1.062407 2.801011
H 1.206751 0.170289 0.363016
H 5.449094 -0.115096 -0.560683
H 1.020306 -2.331690 0.275680
H 5.252627 -2.646384 -0.610142
H -7.479618 -0.538806 1.003431
H -6.641457 -2.086112 1.335934
H -9.174129 -2.398545 1.450355
H -8.496346 -3.355676 0.104288
H -9.335397 -1.807486 -0.226675


