%chk=000052765.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052765

0 1
 S    4.571600     -0.6508000     -0.6683000    
 O   -1.967500      -1.369000      0.8415000    
 N   -3.655500      0.5444000     -0.1852000    
 N   -5.771000     -1.3200000E-02 -0.4234000    
 C    5.086900      0.9311000      5.7399999E-02
 C   -2.222300      0.6363000     -0.4692000    
 C   4.4700000E-02 -0.5312000     -3.9200000E-02
 C    2.806900     -0.6042000     -0.4231000    
 C   -1.395200     -0.4933000      0.1610000    
 C   0.6692000      0.4562000     -0.8011000    
 C   0.8013000      -1.555100      0.5309000    
 C    2.050300      0.4196000     -0.9932000    
 C    2.182400      -1.591500      0.3389000    
 C    4.659000      0.9899000       1.518800    
 C    6.594900       1.096300     -8.7800004E-02
 C   -4.285900       1.103700      0.8744000    
 C   -4.566700     -0.1145000     -0.9405000    
 C   -5.603000      0.7454000      0.7079000    
 H    4.604800       1.748200     -0.4902000    
 H   -2.117500      0.6112000      -1.559100    
 H   -1.887900       1.604100     -8.0399998E-02
 H   0.1204000       1.269900      -1.264500    
 H   0.3386000      -2.335900       1.128900    
 H    2.513800       1.194700      -1.598100    
 H    2.756100      -2.396600      0.7916000    
 H    5.065900      0.1538000       2.099200    
 H    5.028600       1.912900       1.980900    
 H    3.571500      0.9994000       1.639600    
 H    7.144300      0.3126000      0.4460000    
 H    6.914800       2.060200      0.3237000    
 H    6.899400       1.074900      -1.140200    
 H   -3.777700       1.684600       1.631500    
 H   -4.313400     -0.6488000      -1.846000    
 H   -6.438500      0.9943000       1.345800    


%chk=000052765-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052765

0 1
S 4.585570 -0.875157 0.217527
O -2.223733 -1.633041 0.551182
N -3.755628 0.583816 -0.234445
N -5.870791 0.542457 -1.059653
C 5.271688 0.891670 -0.080424
C -2.302345 0.696878 -0.205400
C -0.079437 -0.589246 0.193252
C 2.774753 -0.674850 0.206023
C -1.571601 -0.608308 0.206453
C 0.686925 0.550391 -0.175226
C 0.614654 -1.775402 0.570348
C 2.094540 0.512030 -0.170622
C 2.015361 -1.820631 0.579547
C 5.073927 1.775877 1.162648
C 6.754224 0.709276 -0.453006
C -4.606207 0.358222 0.856588
C -4.568866 0.682251 -1.367589
C -5.899539 0.339543 0.332040
H 4.720216 1.291233 -0.950682
H -1.960005 0.998886 -1.212473
H -1.995836 1.502558 0.491466
H 0.197070 1.484229 -0.472506
H 0.022702 -2.651493 0.855133
H 2.648581 1.406410 -0.469450
H 2.531198 -2.740660 0.875430
H 5.643089 1.370076 2.017469
H 5.442185 2.800039 0.958332
H 4.014444 1.845866 1.462961
H 7.315576 0.229835 0.369472
H 7.209886 1.698903 -0.641112
H 6.873200 0.094227 -1.361554
H -4.227129 0.200917 1.862142
H -4.166713 0.855997 -2.363690
H -6.838659 0.186800 0.858319


