%chk=000047615.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047615

0 1
 S    1.125600       1.035700      -1.032100    
 O  -0.5338000      -1.738200      -1.571300    
 O   -4.557000       1.035200     -0.4077000    
 O   -3.678500      0.4708000       1.607800    
 N    2.940800      1.6600000E-02  0.5158000    
 N   0.9482000      -1.312500      0.1793000    
 C    3.586400       1.201300     -3.7000000E-02
 C    2.470100       2.137400     -0.4883000    
 C    1.694300     -0.2753000      6.6000000E-03
 C    3.734500     -0.9154000       1.287900    
 C   -1.380200     -0.7298000      0.4241000    
 C  -0.2834000      -1.324600     -0.4400000    
 C   -2.465300     -8.6000003E-02 -0.4327000    
 C   -3.601700      0.4849000      0.3875000    
 H    4.213400      0.9117000     -0.8891000    
 H    4.226400       1.697600      0.7006000    
 H    2.104000       2.734800      0.3530000    
 H    2.791200       2.809000      -1.288700    
 H    4.231900      -1.629200      0.6239000    
 H    3.107600      -1.472600       1.991600    
 H    4.500200     -0.3928000       1.870400    
 H  -0.9638000      1.1600000E-02   1.115600    
 H   -1.800500      -1.539900       1.031400    
 H   -2.895000     -0.8303000      -1.113500    
 H   -2.040600      0.7255000      -1.033400    
 H   -5.297400       1.409100      0.1161000    


%chk=000047615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047615

0 1
S 2.081482 1.385500 -1.716388
O -0.564160 0.598535 -1.481673
O -5.395490 -0.112809 0.046312
O -4.111433 -1.903266 0.770523
N 3.083896 0.298974 0.524166
N 0.744406 0.020321 0.404938
C 4.298433 0.678112 -0.230617
C 3.891805 1.777832 -1.224386
C 1.877038 0.467002 -0.112880
C 3.209061 -0.480312 1.763878
C -1.676551 -0.315975 0.509360
C -0.467783 0.160388 -0.287137
C -3.006022 0.130568 -0.117931
C -4.166632 -0.747160 0.293017
H 4.701410 -0.210080 -0.761675
H 5.069103 1.038127 0.474831
H 3.906807 2.778831 -0.766720
H 4.505193 1.763932 -2.136443
H 3.719348 -1.444841 1.572836
H 2.195670 -0.679101 2.142864
H 3.787422 0.087774 2.515035
H -1.572330 0.026371 1.554204
H -1.639176 -1.422681 0.557026
H -2.913354 0.092330 -1.222375
H -3.246445 1.181517 0.118325
H -6.134299 -0.735290 0.288710


