%chk=000074762.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074762

0 1
 S  -0.8132000       1.757900     -1.4000000E-03
 O  -0.9348000       2.477500      -1.261500    
 O  -0.8517000       2.491200       1.257300    
 O    4.988900      -1.310800      -1.099500    
 O    4.990300      -1.309200       1.095800    
 N    4.451700      -1.026200     -1.8000000E-03
 N   -5.116800      -2.345000      5.2999998E-03
 C   0.7539000      0.9293000     -1.2000001E-03
 C   -2.076800      0.5528000      7.9999998E-04
 C    1.346200      0.6142000      -1.209300    
 C    1.347500      0.6167000       1.206600    
 C   -2.581000      7.2800003E-02   1.209500    
 C   -2.582100      7.0299998E-02  -1.206400    
 C    2.579200     -3.8300000E-02  -1.209300    
 C    2.580500     -3.5599999E-02   1.206600    
 C    3.196200     -0.3632000     -1.4000000E-03
 C   -3.590500     -0.8898000       1.211100    
 C   -3.591700     -0.8921000      -1.204900    
 C   -4.095800      -1.372200      3.8000001E-03
 H   0.8771000      0.8528000      -2.158600    
 H   0.8806000      0.8539000       2.157300    
 H   -2.197700      0.4304000       2.161100    
 H   -2.199900      0.4227000      -2.160200    
 H    3.028500     -0.2791000      -2.169500    
 H    3.030900     -0.2750000       2.166500    
 H   -3.974200      -1.257100       2.159500    
 H   -3.976100      -1.261600      -2.152300    
 H   -5.482200      -2.694100      0.8812000    
 H   -5.483100      -2.695700     -0.8697000    


%chk=000074762-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074762

0 1
S -0.843018 1.831074 -0.001485
O -0.917387 2.595459 -1.449093
O -0.914663 2.598626 1.444614
O 5.112064 -1.339048 -1.144050
O 5.112823 -1.339341 1.136616
N 4.580254 -1.055799 -0.003506
N -5.199800 -2.385284 0.007574
C 0.826801 0.905479 -0.001944
C -2.161097 0.499993 0.001174
C 1.420075 0.616565 -1.241629
C 1.421093 0.616572 1.237249
C -2.660455 0.051584 1.237343
C -2.661326 0.047063 -1.232979
C 2.669742 -0.037405 -1.243389
C 2.670717 -0.037466 1.237929
C 3.264547 -0.359466 -0.002983
C -3.677681 -0.917986 1.237514
C -3.678508 -0.922556 -1.228795
C -4.196551 -1.425437 0.005474
H 0.928949 0.923043 -2.170744
H 0.931038 0.923156 2.166869
H -2.279328 0.475560 2.172368
H -2.281134 0.467619 -2.169906
H 3.186279 -0.292927 -2.171953
H 3.187975 -0.293078 2.166066
H -4.083820 -1.280278 2.188783
H -4.085291 -1.288381 -2.178437
H -5.583921 -2.738293 0.879603
H -5.584477 -2.741547 -0.862884


