%chk=000003635.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003635

0 1
 S   -3.584500     -0.7212000     -0.5518000    
 O  -0.1636000       1.405000       1.263800    
 O   -3.546000      -4.196900     -2.2000000E-03
 N    4.383300      0.6309000     -0.4318000    
 N    1.433400     -0.5103000       1.111900    
 C    3.950300       1.065500      0.8907000    
 C    3.721800     -0.1181000       1.835900    
 C    2.694500      -1.136600       1.343200    
 C   0.3179000      -1.207400      0.5864000    
 C  -0.9247000     -0.6004000      0.3325000    
 C    5.640400     -0.1144000     -0.3438000    
 C    4.535900       1.778900      -1.327600    
 C   -1.967200      -1.358000     -0.2072000    
 C   -1.747200      -2.717900     -0.4857000    
 C   -1.068700      0.8385000      0.6569000    
 C   0.5220000      -2.557200      0.3034000    
 C   -2.265900       1.617700      0.2620000    
 C  -0.5115000      -3.313400     -0.2335000    
 C   -3.405900       1.021000     -0.2826000    
 C    6.069400     -0.6304000      -1.706800    
 C    3.242000       2.567900      -1.434100    
 C   -2.810800      -3.604400      -1.062200    
 C   -2.232500       3.010500      0.4521000    
 C   -4.499400       1.833100     -0.6299000    
 C   -3.324200       3.803300      0.1012000    
 C   -4.458900       3.214300     -0.4407000    
 H    4.689300       1.740000       1.343800    
 H    3.009400       1.621300      0.8497000    
 H    4.658400     -0.6242000       2.093200    
 H    3.361200      0.2960000       2.788400    
 H    2.599700      -1.913500       2.111700    
 H    3.079700      -1.606400      0.4308000    
 H    6.445100      0.4895000      9.4200000E-02
 H    5.527500      -1.008600      0.2758000    
 H    5.347400       2.444400      -1.007600    
 H    4.762600       1.444900      -2.345300    
 H    1.278900      0.4230000       1.469300    
 H    1.457000      -3.077300      0.4828000    
 H  -0.3426000      -4.366000     -0.4453000    
 H    5.246000      -1.129200      -2.229700    
 H    6.471200      0.1607000      -2.347200    
 H    6.871000      -1.367700      -1.584000    
 H    2.377400       1.915200      -1.598600    
 H    3.057400       3.192500     -0.5546000    
 H    3.300100       3.250400      -2.289800    
 H   -2.353000      -4.412600      -1.646100    
 H   -3.489900      -3.097900      -1.753400    
 H   -1.358000       3.502300      0.8713000    
 H   -5.403100       1.398400      -1.053500    
 H   -3.286400       4.878200      0.2512000    
 H   -5.313100       3.826100     -0.7153000    
 H   -4.204000      -4.788100     -0.4059000    


%chk=000003635-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003635

0 1
S -3.685817 -0.660081 -0.424449
O -0.057010 1.521695 1.248989
O -3.968444 -3.748425 -0.353808
N 4.649647 0.666992 -0.334198
N 1.417025 -0.559856 1.114044
C 3.998868 1.103628 0.929603
C 3.714111 -0.076222 1.891276
C 2.758892 -1.126780 1.294101
C 0.367939 -1.219509 0.529657
C -0.922449 -0.542374 0.339356
C 6.118766 0.483613 -0.176334
C 4.300437 1.532844 -1.495042
C -1.988786 -1.308063 -0.244294
C -1.820453 -2.644483 -0.687793
C -1.046546 0.877377 0.702269
C 0.515763 -2.573362 0.095375
C -2.285239 1.660507 0.426294
C -0.550762 -3.247458 -0.501803
C -3.485986 1.105787 -0.084703
C 6.721215 -0.501988 -1.196248
C 2.870297 1.295850 -2.017190
C -2.926673 -3.417759 -1.360203
C -2.256959 3.058711 0.703149
C -4.628444 1.917265 -0.305471
C -3.380124 3.870063 0.481891
C -4.574773 3.294467 -0.025241
H 4.615158 1.867758 1.465395
H 3.044792 1.599256 0.677205
H 4.662336 -0.583641 2.152614
H 3.295386 0.322548 2.837495
H 2.712929 -2.014680 1.960089
H 3.173017 -1.452263 0.317600
H 6.656930 1.464441 -0.233875
H 6.302194 0.089933 0.840949
H 4.439496 2.616525 -1.247928
H 5.012604 1.305046 -2.309043
H 1.194574 0.419986 1.392039
H 1.473148 -3.080883 0.231906
H -0.413235 -4.283776 -0.833827
H 6.236365 -1.489675 -1.104087
H 6.586386 -0.154366 -2.236350
H 7.807086 -0.622095 -1.022483
H 2.744607 0.239795 -2.314151
H 2.103225 1.525530 -1.255854
H 2.671889 1.937350 -2.896313
H -2.512851 -4.352075 -1.789699
H -3.375727 -2.816867 -2.180863
H -1.321600 3.464400 1.099930
H -5.547946 1.468349 -0.697182
H -3.336626 4.941926 0.701091
H -5.458021 3.918105 -0.201340
H -4.831512 -3.901668 -0.816546


