%chk=000153865.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153865

0 1
 S   -4.456500     -0.7333000     -0.7139000    
 S    4.399900      -1.479700      0.3789000    
 S   0.2221000       1.631400     -0.3320000    
 N   -2.739400      -3.530600       1.681000    
 N    1.639200      -4.000500      -1.203900    
 N   -2.680200       1.231000     -0.3249000    
 N    2.934900      0.7524000      0.3655000    
 N   -4.907000       1.894300     -0.9642000    
 N    5.328300       1.023000      0.2933000    
 C   -3.623400      -2.956500      0.6672000    
 C    2.858400      -3.561700     -0.5315000    
 C   -3.364500      -1.460400      0.5422000    
 C    2.888100      -2.040300     -0.4547000    
 C  -0.9710000       2.794100      6.4400002E-02
 C    1.461500       2.587100      0.3626000    
 C   -1.395500      -3.723300       1.137300    
 C   -3.279000      -4.798400       2.171200    
 C    1.330700      -5.387600     -0.8544000    
 C    1.772800      -3.858800      -2.654200    
 C   -2.340100       2.536300     -0.2950000    
 C    2.819300       2.096300      0.3359000    
 C  -0.4344000       3.885300      0.7115000    
 C   0.9748000       3.765600      0.8843000    
 C   -3.960400      0.9851000     -0.6624000    
 C    4.199500      0.2903000      0.3422000    
 C   -3.215300       3.563500     -0.5834000    
 C    3.896300       2.957500      0.2857000    
 C   -4.498500       3.179200     -0.9147000    
 C    5.139300       2.358600      0.2660000    
 H   -3.512800      -3.470300     -0.2972000    
 H   -4.669400      -3.087300      0.9771000    
 H    2.868200      -3.945300      0.4981000    
 H    3.754300      -3.961200      -1.025300    
 H   -3.540800     -0.9588000       1.500600    
 H   -2.331500      -1.268600      0.2393000    
 H    2.870500      -1.583300      -1.448300    
 H    2.013800      -1.684000      0.1020000    
 H  -0.9255000      -2.775600      0.8582000    
 H   -1.395200      -4.382500      0.2617000    
 H  -0.7396000      -4.169000       1.894500    
 H   -4.259500      -4.648000       2.637000    
 H   -2.629200      -5.219900       2.946400    
 H   -3.385700      -5.539200       1.370400    
 H    1.171400      -5.489700      0.2249000    
 H    2.130200      -6.075700      -1.152500    
 H   0.4012000      -5.709000      -1.337600    
 H    1.909600      -2.814800      -2.951300    
 H   0.8559000      -4.193700      -3.153200    
 H    2.607700      -4.445900      -3.054300    
 H   -1.011600       4.734100       1.056800    
 H    1.585700       4.513200       1.374900    
 H   -2.937400       4.609700     -0.5654000    
 H    3.799600       4.035500      0.2558000    
 H   -5.256400       3.916000      -1.158700    
 H    6.045100       2.954000      0.2248000    


%chk=000153865-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153865

0 1
S -4.665272 -0.921228 -0.313416
S 4.343747 -1.908049 1.380201
S 0.200369 1.164840 0.053412
N -2.542151 -3.680406 1.939556
N 1.554523 -3.487929 -1.310955
N -2.699791 0.989100 -0.481339
N 2.992117 0.393523 0.693624
N -4.931119 1.568797 -1.278046
N 5.329586 0.589466 1.349015
C -3.615796 -3.061416 1.129030
C 2.847488 -3.001656 -0.772240
C -3.168517 -1.701180 0.562800
C 2.695480 -2.552829 0.695186
C -0.841019 2.521786 -0.523598
C 1.617717 2.282664 0.094350
C -1.431354 -4.228541 1.132596
C -3.065506 -4.674216 2.899714
C 1.701957 -4.567301 -2.309106
C 0.686631 -2.396172 -1.800839
C -2.251028 2.254153 -0.788644
C 2.913581 1.755229 0.509581
C -0.114188 3.710067 -0.651644
C 1.264059 3.577073 -0.300809
C -4.008217 0.713457 -0.727778
C 4.182351 -0.120644 1.096342
C -3.133660 3.219953 -1.344958
C 4.051620 2.578177 0.734559
C -4.466837 2.815242 -1.576832
C 5.235656 1.936959 1.159664
H -3.957225 -3.729551 0.295910
H -4.487143 -2.898712 1.791029
H 3.582134 -3.826316 -0.819927
H 3.266141 -2.159797 -1.375474
H -2.854649 -1.024001 1.370967
H -2.355241 -1.780654 -0.174475
H 1.972164 -1.730914 0.808918
H 2.408660 -3.397121 1.341612
H -0.967259 -3.447775 0.509384
H -1.752027 -5.064808 0.459337
H -0.645231 -4.615510 1.804514
H -3.826426 -4.204960 3.548346
H -2.241931 -5.030622 3.544054
H -3.529029 -5.568830 2.410288
H 2.280281 -5.402474 -1.876381
H 2.213192 -4.239343 -3.249450
H 0.703682 -4.952427 -2.585737
H 0.556975 -1.625075 -1.023168
H -0.311248 -2.798094 -2.054708
H 1.098049 -1.892897 -2.711874
H -0.556150 4.652135 -0.984655
H 1.973888 4.406236 -0.349011
H -2.803463 4.229024 -1.600028
H 4.018463 3.661898 0.604859
H -5.197601 3.502308 -2.017196
H 6.147064 2.509956 1.362140


