%chk=000057028.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057028

0 1
 S   -5.747600      -2.043500     -0.1171000    
 O   -2.488800      0.5367000      -2.125800    
 O    7.022700     -0.5120000     -0.9111000    
 N   -5.008600      0.4104000      0.2220000    
 N   -7.190400     -9.6500002E-02  0.9791000    
 C   -1.389400     -1.0000000E-03  3.0300001E-02
 C  -0.4121000       1.152600     -0.3123000    
 C   0.9629000       1.011800      0.3548000    
 C    1.619700     -0.3211000     -0.1152000    
 C   -2.689900      0.5145000     -0.6959000    
 C  -0.7435000      -1.296800     -0.4987000    
 C    3.061000     -0.5415000      0.4869000    
 C   0.6660000      -1.527900      7.8100003E-02
 C   -1.217800       2.416300     -3.5599999E-02
 C   -2.686200       2.025400     -0.3031000    
 C    1.876900       2.195800      1.0100000E-02
 C   -1.649800     -0.1506000       1.556400    
 C    3.900900      0.7254000      0.2800000    
 C    3.250100       2.037100      0.6499000    
 C    3.720500      -1.743600     -0.2501000    
 C    3.014900     -0.8476000       2.001200    
 C   -3.965400     -0.2635000     -0.3790000    
 C    5.224500      -1.833800     -4.4900000E-02
 C    5.162600      0.7235000     -0.1818000    
 C    5.885800     -0.5417000     -0.4446000    
 C   -4.176400      -1.598800     -0.6415000    
 C   -6.002400     -0.4297000      0.4080000    
 H  -0.2253000       1.142900      -1.398300    
 H   0.8353000       1.000100       1.442500    
 H    1.751400     -0.2225000      -1.205400    
 H  -0.6708000      -1.265300      -1.593000    
 H   -1.362900      -2.166000     -0.2533000    
 H   0.5813000      -1.782600       1.138900    
 H    1.081000      -2.413700     -0.4156000    
 H  -0.9063000       3.242200     -0.6839000    
 H   -1.101300       2.749400       1.002000    
 H   -3.267700       2.215800      0.6063000    
 H   -3.108600       2.657100      -1.093400    
 H    1.432300       3.133400      0.3637000    
 H    1.984500       2.285900      -1.078700    
 H   -2.119100      0.7359000       1.993500    
 H   -2.313500     -0.9995000       1.755300    
 H  -0.7364000     -0.3307000       2.128700    
 H    3.154800       2.091500       1.741400    
 H    3.874700       2.889100      0.3542000    
 H    3.530600      -1.659300      -1.329500    
 H    3.269400      -2.690200      7.0799999E-02
 H    2.438900     -0.1022000       2.558200    
 H    2.566000      -1.826000       2.201600    
 H    4.019900     -0.8631000       2.439300    
 H   -3.286300      0.9159000      -2.533800    
 H    5.624700      -2.637900     -0.6726000    
 H    5.481800      -2.054200      0.9958000    
 H    5.720900       1.642200     -0.3278000    
 H   -3.521100      -2.316700      -1.112100    
 H   -7.932800     -0.7767000       1.104300    
 H   -7.381700      0.8458000       1.303200    


%chk=000057028-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057028

0 1
S -6.005181 -1.900833 -0.559983
O -2.339157 0.282631 -2.264284
O 7.128607 -0.601576 -0.816116
N -4.788080 0.219995 0.547615
N -6.850672 -0.347414 1.625377
C -1.395654 0.019483 -0.032502
C -0.415398 1.194977 -0.341650
C 0.948346 1.055510 0.362491
C 1.603199 -0.293782 -0.081232
C -2.665041 0.512086 -0.830241
C -0.752718 -1.296818 -0.525375
C 3.042528 -0.536878 0.538866
C 0.643281 -1.502321 0.125275
C -1.265210 2.466666 -0.097866
C -2.712556 2.049541 -0.525812
C 1.880763 2.238179 0.019901
C -1.760302 -0.087767 1.472924
C 3.904052 0.719432 0.311267
C 3.279049 2.058333 0.656926
C 3.691130 -1.762029 -0.180038
C 2.972407 -0.802063 2.077636
C -3.966687 -0.210523 -0.516778
C 5.214992 -1.880761 0.027896
C 5.196928 0.659779 -0.146900
C 5.938966 -0.595982 -0.370489
C -4.431059 -1.305040 -1.224215
C -5.870903 -0.529901 0.676140
H -0.221713 1.138802 -1.434272
H 0.793308 1.048067 1.462918
H 1.765488 -0.196527 -1.180425
H -0.652611 -1.254962 -1.625331
H -1.400762 -2.163326 -0.285721
H 0.518122 -1.701451 1.207037
H 1.094919 -2.413664 -0.308992
H -0.897078 3.331850 -0.676569
H -1.241324 2.752499 0.971605
H -3.451631 2.252797 0.266496
H -3.043089 2.592932 -1.430807
H 1.437618 3.189818 0.370297
H 1.982578 2.313395 -1.082499
H -2.293770 0.803727 1.843361
H -2.424531 -0.954399 1.640737
H -0.861563 -0.229123 2.096907
H 3.167020 2.125209 1.760672
H 3.956836 2.879109 0.358499
H 3.489681 -1.675531 -1.267219
H 3.204600 -2.693343 0.163912
H 2.457422 0.013756 2.614695
H 2.431308 -1.741146 2.288313
H 3.986387 -0.893808 2.506594
H -3.083211 0.655972 -2.802903
H 5.639160 -2.720633 -0.550556
H 5.448248 -2.081612 1.093899
H 5.764965 1.582558 -0.325473
H -3.968811 -1.813643 -2.065817
H -7.667388 -0.947685 1.677476
H -6.741909 0.417939 2.286736


