%chk=000034251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034251

0 1
 S    1.243100       3.108700      0.1145000    
 O    2.530800      -2.608100      6.1099999E-02
 N   -3.872800     -0.3483000      5.5300001E-02
 C   -1.774700      0.6597000     -0.8059000    
 C  -0.4906000       1.308800     -0.4400000    
 C   -2.626800      0.3137000      0.4266000    
 C   0.7262000      0.5927000     -0.1814000    
 C    1.769500       1.466900      0.1388000    
 C  -0.3473000       2.670100     -0.3143000    
 C    1.000000     -0.7963000     -0.2044000    
 C    3.063300      0.9933000      0.4330000    
 C    2.282200      -1.269300      8.6900003E-02
 C   -4.641000     -0.7060000       1.248800    
 C   -3.602500      -1.539500     -0.7510000    
 C    3.301500     -0.3820000      0.4021000    
 C    1.439100      -3.464200     -0.2703000    
 H   -2.347800       1.325300      -1.466000    
 H   -1.538700     -0.2239000      -1.407200    
 H   -2.854700       1.241000      0.9685000    
 H   -2.040500     -0.3147000       1.111600    
 H   -1.101900       3.432000     -0.4530000    
 H   0.1724000      -1.450900     -0.4505000    
 H    3.867300       1.680600      0.6807000    
 H   -5.605700      -1.144000      0.9694000    
 H   -4.864400      0.1864000       1.844300    
 H   -4.107800      -1.421400       1.885600    
 H   -3.294000      -1.280600      -1.768500    
 H   -4.518900      -2.128700     -0.8799000    
 H   -2.850800      -2.194600     -0.2955000    
 H    4.298000     -0.7531000      0.6283000    
 H    1.815900      -4.492000     -0.2443000    
 H    1.079100      -3.283100      -1.288800    
 H   0.6368000      -3.400800      0.4728000    


%chk=000034251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034251

0 1
S 1.349180 3.291988 0.114262
O 2.551259 -2.598128 0.092803
N -3.828280 -0.450019 0.059567
C -1.802598 0.762764 -0.838481
C -0.489673 1.425572 -0.475375
C -2.512157 0.141852 0.395598
C 0.740773 0.691126 -0.184141
C 1.834585 1.543777 0.154560
C -0.319730 2.790729 -0.363080
C 0.945307 -0.718167 -0.217165
C 3.111638 1.027269 0.462843
C 2.221669 -1.230745 0.089556
C -4.663780 -0.658752 1.260800
C -3.725771 -1.679490 -0.751181
C 3.301175 -0.363868 0.431016
C 1.489552 -3.545504 -0.246760
H -2.496438 1.493415 -1.290617
H -1.616638 -0.018188 -1.601765
H -2.680570 0.948976 1.132556
H -1.833356 -0.603852 0.885744
H -1.061831 3.571195 -0.529191
H 0.113279 -1.376966 -0.482646
H 3.944444 1.688645 0.721524
H -5.664213 -1.018414 0.959468
H -4.793200 0.298742 1.795824
H -4.233875 -1.401724 1.980722
H -3.213786 -1.472523 -1.706298
H -4.739228 -2.047905 -0.990290
H -3.172974 -2.504702 -0.229427
H 4.272316 -0.810741 0.662609
H 1.955790 -4.539310 -0.177207
H 1.115810 -3.380715 -1.276684
H 0.645622 -3.478637 0.468157


