%chk=000088157.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088157

0 1
 S    1.429500       1.922000      0.4804000    
 O   -4.742800     -0.2458000     -0.9217000    
 O   -4.202300      -1.686100      0.6442000    
 N   -3.928800     -0.6998000     -8.1600003E-02
 N    2.387400      2.6000001E-02  -1.138900    
 N    3.394800      0.2034000       1.043000    
 C  -0.1643000       1.142300      0.3133000    
 C   -2.659100     -7.8400001E-02  5.1600002E-02
 C   -1.085300       1.629500     -0.6140000    
 C  -0.4906000      4.4700000E-02   1.109700    
 C   -2.332800       1.019300     -0.7448000    
 C   -1.738000     -0.5657000      0.9789000    
 C    2.524700      0.5668000      8.4600002E-02
 C    4.169900      -1.464000     -0.5101000    
 C    3.230700     -0.9931000      -1.404700    
 C    4.207100     -0.8211000      0.7103000    
 H  -0.8482000       2.483700      -1.243600    
 H   0.2096000     -0.3487000       1.842800    
 H   -3.025100       1.425800      -1.477600    
 H   -1.958200      -1.417900       1.616800    
 H    4.833700      -2.283600     -0.7500000    
 H    3.126700      -1.435900      -2.389500    
 H    4.912500      -1.121400       1.477700    


%chk=000088157-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088157

0 1
S 1.399804 1.673758 0.728763
O -5.040061 0.342132 -0.985265
O -4.550828 -1.610432 0.089444
N -4.230634 -0.437099 -0.347074
N 2.181439 -0.831793 -0.206016
N 3.895414 0.771285 0.454318
C -0.247318 0.943766 0.362726
C -2.850661 0.044094 -0.100365
C -1.161191 1.766699 -0.340628
C -0.642396 -0.329216 0.840455
C -2.476815 1.320441 -0.573340
C -1.950907 -0.788277 0.603029
C 2.603135 0.368942 0.268500
C 4.535963 -1.410205 -0.414257
C 3.164311 -1.718093 -0.548867
C 4.854832 -0.132862 0.106878
H -0.840503 2.744684 -0.712222
H 0.067515 -0.956900 1.382350
H -3.203214 1.930737 -1.115648
H -2.287189 -1.765929 0.957105
H 5.313433 -2.125207 -0.692722
H 2.825190 -2.685036 -0.935453
H 5.891778 0.186513 0.255090


