%chk=000132466.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132466

0 1
 S    2.620500     -0.2282000      0.5532000    
 O   -6.032800      -2.760200     -0.4801000    
 N   -1.517400       2.814000     -1.0500000E-02
 N   -3.601300      -1.404200     -9.5200002E-02
 N   -1.705400       5.659100      0.1259000    
 N   -2.573200      0.7052000     -5.4299999E-02
 N  -0.1931000      0.8711000      0.2036000    
 N   -1.162400      -2.644700      0.2182000    
 N    1.217700      -2.478800      0.4761000    
 C   -2.747300       3.447800      0.4840000    
 C  -0.3001000       3.626800      8.5800000E-02
 C   -2.900800       4.849500     -0.1051000    
 C  -0.5411000       5.023000     -0.4877000    
 C   -4.859700     -0.8271000      0.3974000    
 C   -3.744200      -2.373400      -1.187100    
 C   -2.437400     -0.6355000      7.3000002E-03
 C   -1.426600       1.418600      4.8000000E-02
 C   -5.861800      -1.941500      0.6768000    
 C   -4.807100      -3.404800     -0.8247000    
 C   -1.236600      -1.300900      0.1634000    
 C  -0.1189000     -0.4726000      0.2584000    
 C    1.081900      -1.138100      0.4144000    
 C   6.9200002E-02  -3.162700      0.3726000    
 C    3.797600      -1.402000     -0.1702000    
 C    5.202900     -0.8665000     -0.1746000    
 C    6.030800      -1.106500      0.9142000    
 C    5.655400     -0.1384000      -1.267200    
 C    7.334300     -0.6098000      0.9103000    
 C    6.958800      0.3583000      -1.270900    
 C    7.798300      0.1226000     -0.1822000    
 H   -2.714700       3.496000       1.579900    
 H   -3.640500       2.875900      0.2061000    
 H   0.5223000       3.173900     -0.4814000    
 H   1.4000000E-02   3.693700       1.135200    
 H   -3.107700       4.787600      -1.180900    
 H   -3.761800       5.342700      0.3591000    
 H   0.3432000       5.643700     -0.3068000    
 H  -0.6766000       4.967000      -1.575200    
 H   -5.262100     -0.1477000     -0.3641000    
 H   -4.699400     -0.2570000       1.320200    
 H   -2.819600      -2.893200      -1.449500    
 H   -4.064100      -1.825900      -2.083100    
 H   -1.840000       6.582400     -0.2854000    
 H   -5.541200      -2.565100       1.520100    
 H   -6.835700      -1.512600      0.9329000    
 H   -5.001500      -4.056800      -1.682300    
 H   -4.480400      -4.039200      8.1000002E-03
 H   0.1390000      -4.242200      0.4174000    
 H    3.487900      -1.642300      -1.194400    
 H    3.779400      -2.343500      0.3912000    
 H    5.679900      -1.674600       1.771200    
 H    5.010000      5.2099999E-02  -2.120100    
 H    7.987700     -0.7930000       1.758200    
 H    7.320100      0.9289000      -2.121400    
 H    8.813000      0.5096000     -0.1851000    


%chk=000132466-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132466

0 1
S 2.642771 -0.124670 -0.134656
O -6.191111 -2.666618 0.410626
N -1.549256 2.656037 0.535196
N -3.787136 -1.325640 -0.489948
N -1.735841 5.446542 0.067774
N -2.606018 0.616952 0.019153
N -0.172291 0.807634 0.074937
N -1.113628 -2.708024 -0.776192
N 1.303887 -2.463467 -0.711278
C -2.846480 3.340070 0.695197
C -0.362769 3.513714 0.745412
C -2.901089 4.581912 -0.221306
C -0.448404 4.754153 -0.169526
C -5.054745 -0.573790 -0.315463
C -4.025982 -2.750691 -0.829551
C -2.568733 -0.703691 -0.309216
C -1.435883 1.323075 0.199134
C -5.923216 -1.260951 0.757057
C -4.919134 -3.394632 0.249231
C -1.261026 -1.368186 -0.457206
C -0.115531 -0.518882 -0.246046
C 1.177702 -1.160492 -0.396143
C 0.141087 -3.182704 -0.887122
C 3.999773 -1.449602 -0.455661
C 5.356815 -0.827620 -0.237885
C 5.967250 -0.856009 1.043206
C 6.048416 -0.205373 -1.309829
C 7.241202 -0.281280 1.247692
C 7.322460 0.370610 -1.108374
C 7.923095 0.333937 0.171750
H -2.953574 3.668910 1.748576
H -3.647303 2.627205 0.451487
H 0.536358 2.916003 0.535249
H -0.345055 3.847387 1.802272
H -2.931225 4.232391 -1.283406
H -3.829996 5.144837 -0.016125
H 0.382256 5.440952 0.073852
H -0.324987 4.418443 -1.228611
H -5.597108 -0.571554 -1.281982
H -4.810028 0.459918 -0.030526
H -3.059739 -3.271080 -0.915183
H -4.554355 -2.787723 -1.804033
H -1.790199 6.360900 -0.396801
H -5.414555 -1.204444 1.743844
H -6.913337 -0.780710 0.825697
H -5.203252 -4.418365 -0.044531
H -4.377149 -3.424645 1.219305
H 0.261796 -4.239737 -1.139567
H 3.845968 -1.804479 -1.485957
H 3.786755 -2.279460 0.234734
H 5.439845 -1.330694 1.879415
H 5.584163 -0.174600 -2.302980
H 7.701661 -0.314124 2.241523
H 7.845955 0.844376 -1.946427
H 8.912320 0.778478 0.328911


