%chk=000063552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063552

0 1
 S    2.793200      -1.816500      -1.254600    
 O  -0.5423000      -3.624600     -0.6121000    
 O   -2.645500      -2.139700      0.3909000    
 O    7.353600       1.711000     -0.6518000    
 O   -7.371600       1.758500      -1.147000    
 O   -6.979400     -0.4007000      -1.201000    
 N   0.7709000      -1.954100      0.3710000    
 N   -1.057400     -0.6311000       1.188000    
 N   -1.510700       1.702500       1.232000    
 N    2.466000     -0.3768000      0.9439000    
 N   -6.622300      0.7736000     -0.9401000    
 C  -9.1100000E-02  -1.678500       1.479900    
 C    1.970700      -1.288600      0.1807000    
 C   0.4610000      -2.916900     -0.5999000    
 C   -3.210600      0.1421000      0.3861000    
 C   -2.294400     -0.9920000      0.6474000    
 C    1.510000      -3.012400      -1.677700    
 C   -2.780000       1.440800      0.6891000    
 C  -0.7384000      0.6894000       1.447600    
 C   -4.480900     -8.4399998E-02 -0.1539000    
 C   -3.644700       2.512600      0.4413000    
 C   -5.330200      0.9947000     -0.3943000    
 C   -4.913400       2.291100     -9.7599998E-02
 C    3.704300      0.1535000      0.5404000    
 C    3.739800       1.261500     -0.2993000    
 C    4.883700     -0.4363000      0.9834000    
 C    4.968400       1.785900     -0.7010000    
 C    6.112400      8.8100001E-02  0.5820000    
 C    6.154800       1.199300     -0.2602000    
 C    7.324100       2.848000      -1.513200    
 H  -0.6246000      -2.595000       1.755300    
 H   0.5131000      -1.368700       2.340300    
 H    1.925900      -4.022700      -1.696600    
 H    1.065700      -2.764300      -2.644600    
 H   0.2605000      0.8442000       1.880300    
 H   -4.790900      -1.101600     -0.3798000    
 H   -3.333900       3.529800      0.6676000    
 H   -5.549400       3.155300     -0.2720000    
 H    2.819800       1.725800     -0.6449000    
 H    4.860400      -1.300700       1.641600    
 H    4.928500       2.650100      -1.355200    
 H    7.033100     -0.3730000      0.9289000    
 H    8.363400       3.121200      -1.723600    
 H    6.859400       3.711100      -1.024600    
 H    6.854600       2.612600      -2.474300    


%chk=000063552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063552

0 1
S 2.429885 -2.472283 -1.914576
O -0.387418 -4.743392 -0.219767
O -2.290962 -2.117514 -0.240125
O 6.287675 2.945897 -0.179035
O -6.277864 2.942378 -1.146687
O -6.113613 0.787056 -1.878720
N 0.709097 -2.691791 0.147458
N -0.801718 -1.119398 1.272493
N -1.002607 1.176031 1.995722
N 2.209304 -0.909742 0.489357
N -5.697757 1.788013 -1.178697
C -0.040548 -2.386052 1.370836
C 1.788651 -1.870460 -0.261078
C 0.418764 -3.859969 -0.591562
C -2.660748 0.204170 0.415684
C -1.956400 -1.095032 0.419449
C 1.221234 -3.923423 -1.887528
C -2.160484 1.294308 1.206104
C -0.387000 0.007897 1.986714
C -3.825258 0.364348 -0.369682
C -2.850354 2.540483 1.190494
C -4.475336 1.606979 -0.357430
C -4.003101 2.703079 0.414934
C 3.230059 0.033787 0.219475
C 3.577885 0.496039 -1.078562
C 3.906930 0.588593 1.343373
C 4.586610 1.467102 -1.254090
C 4.919900 1.543086 1.177071
C 5.268651 1.986872 -0.125463
C 6.681961 3.446035 -1.499342
H -0.740707 -3.227585 1.513952
H 0.653109 -2.291829 2.221594
H 1.775180 -4.872464 -1.942232
H 0.536453 -3.843127 -2.746461
H 0.532724 -0.115383 2.565037
H -4.204442 -0.467049 -0.970692
H -2.448760 3.355059 1.799081
H -4.550704 3.648403 0.385182
H 3.039687 0.129473 -1.959431
H 3.626677 0.246365 2.344585
H 4.822790 1.811160 -2.265213
H 5.450694 1.965907 2.034947
H 7.484935 4.171052 -1.302899
H 5.837380 3.952491 -2.005531
H 7.065149 2.628528 -2.140338


