%chk=000082365.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082365

0 1
 S   -7.798100      0.5486000     -0.3717000    
 O   -8.254000      0.3158000       1.177900    
 O   -8.066600       1.938500     -0.6959000    
 O   -8.344200     -0.5284000      -1.176800    
 N   -1.867800      0.1278000     -0.4007000    
 N   -1.425000      0.3119000      0.7557000    
 N    4.157200     -3.5999998E-02  0.7226000    
 N    4.560700     -0.2739000     -0.4383000    
 N    5.758700      -2.815900     -3.4299999E-02
 N    10.13920     -0.7737000     -0.4506000    
 C   -5.442300     -0.9157000     -0.1670000    
 C   -4.029800      -1.003600     -0.1759000    
 C   -6.054000      0.3328000     -0.3651000    
 C   -3.272700      0.1596000     -0.3828000    
 C   0.7370000       1.443100      0.5314000    
 C    2.149500       1.354900      0.5224000    
 C   -5.284100       1.478400     -0.5691000    
 C   -6.201400      -2.078900      3.9900001E-02
 C   -3.895100       1.391900     -0.5779000    
 C   -3.418200      -2.252300      2.2299999E-02
 C  -2.2299999E-02  0.2799000      0.7383000    
 C    2.761100      0.1064000      0.7207000    
 C   -5.577100      -3.311100      0.2352000    
 C   -4.188200      -3.397800      0.2263000    
 C   0.1256000       2.691800      0.3332000    
 C   0.6021000     -0.9523000      0.9338000    
 C    2.908800       2.518100      0.3155000    
 C    1.991100      -1.039000      0.9248000    
 C   0.8956000       3.837200      0.1291000    
 C    2.284600       3.750500      0.1202000    
 C    5.958900     -0.4163000     -0.4359000    
 C    6.548500      -1.662500     -0.2392000    
 C    6.750100      0.7120000     -0.6374000    
 C    7.938400      -1.781300     -0.2437000    
 C    8.734000     -0.6534000     -0.4451000    
 C    8.139800      0.5932000     -0.6420000    
 H   -5.727400       2.457500     -0.7223000    
 H   -7.281800      -2.089800      0.1103000    
 H   -3.306600       2.291300     -0.7396000    
 H   -2.336900      -2.364500      1.7100001E-02
 H   -6.174800      -4.202100      0.4051000    
 H   -3.702900      -4.357400      0.3798000    
 H  -0.9556000       2.804300      0.3390000    
 H   1.4400000E-02  -1.852100       1.096700    
 H    3.995700       2.495100      0.3071000    
 H    2.465200      -2.004800       1.080300    
 H   0.4105000       4.797300     -2.1400001E-02
 H    2.883500       4.642900     -3.7099998E-02
 H   -7.875300      0.9503000       1.830800    
 H    6.297400       1.687500     -0.7942000    
 H    8.402800      -2.753200     -9.0499997E-02
 H    8.748900       1.479400     -0.8007000    
 H    6.199300      -3.714800      0.1083000    
 H    4.750200      -2.739000     -2.8899999E-02
 H    10.57070      -1.676800     -0.3066000    
 H    10.71660      4.4000000E-02 -0.5952000    


%chk=000082365-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082365

0 1
S -8.088936 0.314588 -0.496098
O -8.500691 0.391274 1.321644
O -8.356954 1.764981 -1.162869
O -8.857187 -0.978184 -1.102901
N -2.043497 -0.234763 0.095295
N -1.356723 0.888793 -0.020700
N 4.316411 0.597910 -0.021255
N 4.883898 -0.551042 -0.373266
N 6.059860 -2.790100 -1.313496
N 10.439158 -1.229091 0.181325
C -5.702868 -1.171583 0.188857
C -4.254385 -1.234095 0.312023
C -6.240825 0.070630 -0.275551
C -3.451158 -0.072091 -0.024641
C 0.818460 1.977314 0.029687
C 2.262560 1.901944 0.016204
C -5.474292 1.190318 -0.599147
C -6.484402 -2.323870 0.532321
C -4.067835 1.112895 -0.478724
C -3.653474 -2.446555 0.777880
C 0.043142 0.748177 -0.011452
C 2.909094 0.602358 -0.049454
C -5.860742 -3.487572 0.984826
C -4.438975 -3.551895 1.109748
C 0.192367 3.263187 0.084656
C 0.713494 -0.503658 -0.063114
C 3.025817 3.112764 0.061990
C 2.112513 -0.575941 -0.081981
C 0.961672 4.429594 0.124752
C 2.388393 4.354916 0.114362
C 6.262119 -0.633969 -0.214079
C 6.873046 -1.856071 -0.713220
C 7.096214 0.353918 0.399033
C 8.270454 -2.045629 -0.575010
C 9.071339 -1.052311 0.040406
C 8.466402 0.162233 0.531309
H -5.965137 2.104224 -0.948814
H -7.571588 -2.289133 0.425262
H -3.436260 1.966910 -0.735759
H -2.564370 -2.472219 0.864216
H -6.468140 -4.361322 1.244211
H -3.966906 -4.474134 1.465221
H -0.899723 3.303303 0.096427
H 0.100978 -1.409980 -0.094788
H 4.115842 3.031294 0.056142
H 2.623885 -1.542610 -0.110966
H 0.469455 5.407624 0.166096
H 2.981204 5.275530 0.150687
H -9.497962 0.454998 1.391921
H 6.612019 1.263495 0.767111
H 8.733410 -2.966278 -0.950320
H 9.095820 0.922043 1.008622
H 6.422381 -3.663618 -1.683517
H 5.064918 -2.567374 -1.373712
H 10.898720 -2.072965 -0.150982
H 11.011885 -0.513762 0.621481


