%chk=000139116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139116

0 1
 S  -0.1817000       3.724300      -1.139800    
 O    6.575000      -3.017500      0.3248000    
 N    1.122600      0.4056000     -1.9400001E-02
 N    3.827800     -0.6065000     -0.1444000    
 N  -0.5096000       4.862900      2.6000001E-02
 C    1.423600     -0.8897000     -0.6411000    
 C    2.270600       1.312100     -0.1431000    
 C  -7.4299999E-02  0.9999000     -0.6112000    
 C    2.679600      -1.513000     -2.2700001E-02
 C    3.526400      0.6891000      0.4765000    
 C    5.023900      -1.200900      0.4493000    
 C   -1.317900      0.1361000     -0.4515000    
 C  -0.2926000       2.411700     -8.3600000E-02
 C    5.400400      -2.484600     -0.2730000    
 C   -2.257500      0.1282000      -1.461300    
 C   -1.466800     -0.6111000      0.6986000    
 C   -3.571800      -1.427600     -0.1614000    
 C  -0.5797000       2.808900       1.171200    
 C   -3.397300     -0.6624000      -1.314600    
 C   -2.606500      -1.401900      0.8453000    
 C   -4.790200      -2.273100     -4.1999999E-03
 C  -0.6946000       4.228600       1.181300    
 C   -5.652700      -1.845400       1.198300    
 C   -4.456700      -3.773500      9.9799998E-02
 H    1.574800     -0.7742000      -1.723800    
 H   0.6172000      -1.618000     -0.5122000    
 H    2.120400       2.251400      0.3983000    
 H    2.468300       1.559900      -1.195200    
 H   0.1096000       1.073400      -1.695600    
 H    2.488000      -1.771100       1.027600    
 H    2.842000      -2.445500     -0.5709000    
 H    4.365600       1.378000      0.3209000    
 H    3.388700      0.5809000       1.561200    
 H    4.891600      -1.400500       1.521200    
 H    5.869300     -0.5047000      0.3741000    
 H    5.603800      -2.298700      -1.333000    
 H    4.642400      -3.265500     -0.1848000    
 H   -2.131600      0.7216000      -2.361800    
 H  -0.7414000     -0.5947000       1.506100    
 H  -0.7013000       2.167400       2.033300    
 H   -4.139600     -0.6704000      -2.108300    
 H   -2.723900      -1.986600       1.753600    
 H   -5.420600      -2.155900     -0.8964000    
 H  -0.9182000       4.835400       2.048200    
 H   -5.134100      -2.000700       2.150500    
 H   -6.583300      -2.422500       1.227700    
 H   -5.917100     -0.7842000       1.129500    
 H   -3.860800      -4.099900     -0.7598000    
 H   -5.375000      -4.370300      0.1185000    
 H   -3.890100      -4.005100       1.008100    
 H    6.804100      -3.825900     -0.1647000    


%chk=000139116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139116

0 1
S -0.732127 3.786732 -1.134406
O 6.887119 -2.894599 0.304969
N 1.166533 0.389950 -0.104998
N 3.860088 -0.727404 -0.044078
N -0.967809 4.877356 0.300756
C 1.466533 -0.953842 -0.676007
C 2.374717 1.252422 -0.236908
C -0.048366 1.003178 -0.722331
C 2.656504 -1.587745 0.059795
C 3.565192 0.620532 0.500243
C 5.070469 -1.343248 0.549506
C -1.293771 0.116872 -0.542581
C -0.324913 2.367005 -0.106200
C 5.732100 -2.333810 -0.418502
C -2.229012 -0.016010 -1.592595
C -1.555417 -0.537348 0.687584
C -3.677790 -1.434466 -0.190074
C -0.373446 2.740205 1.231019
C -3.406618 -0.778364 -1.415638
C -2.724884 -1.303722 0.856692
C -4.956734 -2.255760 -0.005368
C -0.728295 4.125537 1.397227
C -5.857926 -1.663280 1.111206
C -4.642563 -3.750071 0.273893
H 1.710722 -0.879650 -1.765092
H 0.581021 -1.601446 -0.565818
H 2.161715 2.243811 0.196778
H 2.650028 1.393346 -1.311726
H 0.101019 1.148184 -1.825348
H 2.368602 -1.756122 1.129210
H 2.871893 -2.573835 -0.390284
H 4.455938 1.261087 0.363482
H 3.329172 0.584485 1.594285
H 4.856706 -1.868040 1.511781
H 5.802728 -0.546046 0.772192
H 6.045909 -1.795026 -1.335624
H 5.021891 -3.137954 -0.706273
H -2.043680 0.482207 -2.552709
H -0.822385 -0.451146 1.497707
H -0.159507 2.055966 2.052732
H -4.123420 -0.865975 -2.241520
H -2.900882 -1.805038 1.816300
H -5.524904 -2.204935 -0.956268
H -0.824921 4.631790 2.362975
H -5.349172 -1.697434 2.092573
H -6.798016 -2.239288 1.198041
H -6.113976 -0.609460 0.900668
H -4.032391 -4.188590 -0.536198
H -5.577608 -4.334296 0.359781
H -4.083200 -3.868156 1.220631
H 7.385935 -3.504755 -0.293384


