%chk=000170369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170369

0 1
 S   -2.813900      0.4496000     -0.8966000    
 O    1.440900       1.479400      0.5370000    
 O  -0.3181000      -3.138900       3.061800    
 O   -6.014000       2.174400      0.7256000    
 O   -3.893800      0.5313000       1.495300    
 O    4.408800       3.357600     -0.1126000    
 O    2.395800       2.181100      -1.444000    
 O    5.560000       4.007300       1.782100    
 N   -1.101800      -2.695800      0.8964000    
 N    2.519300      -2.346200      -1.788800    
 N    3.345400      -3.067100      0.3572000    
 N   0.2219000      -2.584700      -2.326300    
 C   -1.907500      -1.894700      0.1241000    
 C  -0.3588000      -3.760300      0.2381000    
 C   -1.715100     -0.5564000      4.2900000E-02
 C  -0.5992000      0.1774000      0.7690000    
 C    1.012000      -3.313000     -0.1803000    
 C   0.3894000      0.8497000     -0.1824000    
 C   -2.999900      -2.653400     -0.5800000    
 C    1.289000      -2.749700      -1.409200    
 C  -0.9970000      -2.498100       2.266400    
 C    2.089800      -3.448500      0.6709000    
 C    3.486600      -2.531500     -0.8704000    
 C   -4.015500      0.8707000      0.3227000    
 C   -5.095200       1.729400     -0.1711000    
 C    2.387100       2.115400     -0.2223000    
 C    4.860700      -2.097600      -1.253600    
 C    3.424700       2.726200      0.6823000    
 C   -5.381300       2.202100      -1.430800    
 C   -6.551000       2.988000      -1.299700    
 C   -6.896400       2.939700      3.0900000E-02
 C    5.432500       3.967000      0.5658000    
 C    6.394700       4.589500     -0.4000000    
 H  -0.9220000      -4.201200     -0.5901000    
 H  -0.2475000      -4.585800      0.9548000    
 H   -1.028600      0.9337000       1.439300    
 H  -4.4000000E-03 -0.4608000       1.425600    
 H  -0.1185000       1.612000     -0.7846000    
 H   0.8199000      0.1052000     -0.8606000    
 H   -3.942400      -2.098600     -0.6117000    
 H   -3.234700      -3.591000     -6.1400000E-02
 H   -2.707200      -2.897100      -1.605900    
 H   -1.647200      -1.682100       2.626800    
 H    1.985300      -3.882400       1.659900    
 H   0.4624000      -2.140100      -3.204700    
 H  -0.5010000      -3.290900      -2.363700    
 H    5.062400      -2.342800      -2.300900    
 H    4.956400      -1.015800      -1.120600    
 H    5.616700      -2.593500     -0.6369000    
 H    2.936000       3.465900       1.325000    
 H    3.884400       1.928500       1.275100    
 H   -4.835800       2.018600      -2.345400    
 H   -7.076900       3.522500      -2.077600    
 H   -7.698300       3.371800      0.6114000    
 H    5.881200       5.347100     -0.9973000    
 H    7.204500       5.072300      0.1544000    
 H    6.824300       3.817700      -1.043400    


%chk=000170369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170369

0 1
S -2.893432 0.362351 -1.001608
O 1.344968 1.323890 0.841701
O -0.631948 -3.224897 3.260296
O -5.994070 2.452657 0.750851
O -4.016178 0.540321 1.537754
O 4.876640 2.270068 0.564709
O 2.586661 1.809520 -1.075625
O 3.852382 4.356324 0.752799
N -1.049599 -2.760265 0.993272
N 2.574131 -2.617277 -2.066920
N 3.080853 -1.596998 0.077898
N 0.821035 -4.109548 -2.381205
C -1.821549 -1.997994 0.039813
C -0.041894 -3.762170 0.541194
C -1.765804 -0.628084 0.083063
C -0.800705 0.203544 0.903688
C 1.159775 -3.117401 -0.131285
C 0.162312 0.995743 -0.006026
C -2.658494 -2.816685 -0.920996
C 1.508214 -3.285028 -1.510463
C -1.266582 -2.599326 2.368229
C 2.015112 -2.271950 0.606135
C 3.306446 -1.790788 -1.267887
C -4.061215 0.989136 0.373072
C -4.975983 2.009032 -0.128737
C 2.515376 1.643888 0.159259
C 4.436023 -1.019973 -1.898295
C 3.672102 1.665637 1.153864
C -5.085711 2.696690 -1.340308
C -6.202719 3.593845 -1.221582
C -6.723830 3.415555 0.055248
C 4.823439 3.664580 0.378818
C 6.068909 4.146482 -0.325176
H -0.539868 -4.500655 -0.113257
H 0.267509 -4.291191 1.461976
H -1.346239 0.891037 1.574445
H -0.184356 -0.452906 1.538674
H -0.275202 1.935092 -0.383851
H 0.505899 0.393925 -0.866423
H -3.431337 -2.191957 -1.395225
H -3.148065 -3.654758 -0.393073
H -2.036139 -3.237480 -1.735264
H -2.073844 -1.868830 2.583596
H 1.835667 -2.122636 1.678575
H 1.168186 -4.160940 -3.337667
H 0.089572 -4.743554 -2.076286
H 4.663889 -1.423065 -2.896225
H 4.151320 0.044802 -1.995153
H 5.332550 -1.058054 -1.256516
H 3.367613 2.193117 2.072936
H 3.946956 0.618939 1.367034
H -4.432030 2.577281 -2.202395
H -6.570712 4.284408 -1.976951
H -7.553316 3.859711 0.599038
H 5.975614 3.935320 -1.405979
H 6.181297 5.231336 -0.183549
H 6.959467 3.613279 0.043890


