%chk=000037774.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037774

0 1
 S   -2.176200       4.999000      0.5317000    
 O   -3.427400      0.2951000      0.5766000    
 O    1.819300       2.566800     -0.4524000    
 O   -2.419700      0.9110000      -1.427500    
 O   0.3266000       1.541100       1.009100    
 N   -3.090200       2.487900      0.1345000    
 N   0.2544000       3.822000      0.5936000    
 C  -0.8654000      -3.866100      0.5582000    
 C    5.240800     -0.7281000      0.6952000    
 C   -2.081500      -3.085100      0.1914000    
 C    4.093500     -0.2829000     -0.1468000    
 C   0.4150000      -3.298800     -8.3499998E-02
 C  -0.6778000      -3.982400       2.082800    
 C    6.535000     -0.9089000     -0.1207000    
 C    4.931900      -2.019000       1.477000    
 C   -2.187000      -1.744100      0.5608000    
 C    3.485400      0.9485000      9.7800002E-02
 C   -3.113400      -3.695300     -0.5219000    
 C    3.628700      -1.097500      -1.179400    
 C   -3.321400      -1.052100      0.2064000    
 C    2.430200       1.329200     -0.6974000    
 C   -4.250700      -2.964700     -0.8657000    
 C    2.555900     -0.6808000      -1.967300    
 C   -4.356200      -1.623800     -0.4964000    
 C    1.947800      0.5505000      -1.722900    
 C   -2.925300       1.206700     -0.3492000    
 C   0.7562000       2.544900      0.4494000    
 C   -2.671600       3.665200     -0.5902000    
 C  -0.8570000       4.161600       1.457100    
 H  -0.9747000      -4.891400      0.1793000    
 H    5.451700      4.6500001E-02   1.445200    
 H   0.6538000      -2.299600      0.2966000    
 H    1.271500      -3.948300      0.1272000    
 H   0.3065000      -3.227200      -1.171500    
 H  -0.4820000      -3.009600       2.546700    
 H   0.1674000      -4.639000       2.316300    
 H   -1.572400      -4.405000       2.553700    
 H    6.781700      8.3999997E-03 -0.6669000    
 H    7.376100      -1.142800      0.5409000    
 H    6.449000      -1.721200     -0.8505000    
 H    4.782400      -2.875600      0.8108000    
 H    5.756600      -2.263900       2.155000    
 H    4.024400      -1.901000       2.079700    
 H   -1.396300      -1.248300       1.115600    
 H    3.834300       1.595900      0.8968000    
 H   -3.047500      -4.738900     -0.8178000    
 H    4.086200      -2.060700      -1.386900    
 H   -5.054200      -3.439600      -1.421000    
 H    2.192700      -1.315800      -2.770100    
 H   -5.240800      -1.054400     -0.7631000    
 H    1.112100      0.8752000      -2.334600    
 H   -3.528000       4.004000      -1.180700    
 H   -1.860000       3.422900      -1.283000    
 H  -0.4733000       4.857700       2.208700    
 H   -1.239700       3.279600       1.978200    
 H   -3.557000       2.612400       1.027300    
 H   0.6971000       4.571900      7.1699999E-02


%chk=000037774-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037774

0 1
S -2.251693 4.772427 0.901622
O -3.691593 0.433377 -0.759259
O 1.729139 1.992953 0.677203
O -1.513030 1.137690 -1.401568
O -0.236902 0.864758 1.400132
N -3.182791 2.629545 -0.682900
N 0.011175 3.203255 1.494322
C -1.117579 -3.385455 1.276417
C 5.774507 -0.827857 0.078416
C -2.187319 -2.837351 0.328076
C 4.331489 -0.482881 -0.301348
C 0.310255 -2.951456 0.855374
C -1.401627 -2.964344 2.744527
C 6.748848 -0.580496 -1.104126
C 5.893758 -2.286234 0.595984
C -2.364795 -1.437619 0.170124
C 3.639421 0.549566 0.376425
C -3.040850 -3.718184 -0.384551
C 3.652565 -1.181444 -1.335049
C -3.384858 -0.967112 -0.677383
C 2.313638 0.861081 0.017599
C -4.054343 -3.222300 -1.236641
C 2.322485 -0.854430 -1.676600
C -4.238388 -1.831372 -1.389875
C 1.628962 0.178913 -1.006487
C -2.665968 1.379679 -0.981086
C 0.418289 1.912936 1.202947
C -2.380609 3.830381 -0.753264
C -1.318579 3.505838 1.979028
H -1.168866 -4.492433 1.226692
H 6.073488 -0.153259 0.906166
H 0.426147 -1.854760 0.914818
H 1.063192 -3.409426 1.524259
H 0.535861 -3.259634 -0.181473
H -1.330093 -1.866808 2.856311
H -0.660695 -3.422050 3.426480
H -2.411394 -3.278500 3.066182
H 6.691136 0.464479 -1.458178
H 7.791461 -0.787831 -0.798616
H 6.509645 -1.240232 -1.958797
H 5.625127 -3.010981 -0.194922
H 6.930882 -2.502054 0.913945
H 5.222164 -2.460803 1.455633
H -1.716337 -0.728351 0.696011
H 4.123309 1.118212 1.178146
H -2.912095 -4.800817 -0.265785
H 4.164394 -1.985422 -1.877138
H -4.704859 -3.917352 -1.778838
H 1.812253 -1.402877 -2.476089
H -5.020792 -1.417300 -2.032567
H 0.597260 0.434567 -1.266669
H -2.812717 4.588150 -1.428478
H -1.371801 3.555350 -1.095729
H -1.308514 3.993770 2.968705
H -1.893086 2.568872 2.032606
H -4.149461 2.674993 -0.355782
H 0.668286 3.960733 1.298950


