%chk=000090722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090722

0 1
 S   -1.479700     -0.1259000     -0.6974000    
 S   -3.456700     -9.4800003E-02 -7.1999999E-03
 O   -4.256900      -1.057400      -1.051200    
 O   -3.473200     -0.7361000       1.293500    
 O   -3.954300       1.256900     -0.1755000    
 N    1.527000     -0.1737000      0.2843000    
 N    3.680800      0.6217000     -0.2231000    
 N    3.227900      -1.688800      0.2256000    
 C   0.8506000       1.098800      0.2010000    
 C  -0.6372000      0.9576000      0.4968000    
 C    2.883200     -0.3616000      7.4800000E-02
 C    5.088600      0.3034000     -0.4214000    
 H    1.289500       1.789700      0.9303000    
 H   0.9980000       1.537600     -0.7932000    
 H  -0.7849000      0.5442000       1.500300    
 H   -1.111700       1.943700      0.4662000    
 H   0.9573000     -0.9853000      0.5074000    
 H    2.531500      -2.387700      0.4609000    
 H    4.180300      -2.016000      0.1099000    
 H    5.538700     -0.1104000      0.4870000    
 H    5.629700       1.223300     -0.6643000    
 H    5.229900     -0.3894000      -1.257400    
 H   -4.210600     -0.7842000      -1.997500    


%chk=000090722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090722

0 1
S -0.696355 -0.652815 0.166272
S -3.104751 -0.197482 -0.419625
O -2.895820 -0.628141 -2.230822
O -4.233488 -1.212822 0.153726
O -3.402474 1.396295 -0.289671
N 1.558354 -0.116768 1.044638
N 3.364257 0.566498 -0.310457
N 3.057634 -1.770226 0.322266
C 0.954335 1.247271 1.004087
C -0.558100 1.006814 1.107202
C 2.740265 -0.408337 0.294085
C 4.516754 0.270581 -1.177719
H 1.352061 1.902929 1.800905
H 1.237810 1.679635 0.033171
H -0.909809 0.858717 2.140892
H -1.177694 1.767743 0.606917
H 1.487882 -0.611821 1.942286
H 2.328076 -2.465638 0.473506
H 3.935553 -2.084945 -0.082155
H 5.450035 0.168148 -0.585152
H 4.662020 1.115105 -1.870801
H 4.397320 -0.653965 -1.788138
H -3.816069 -0.811175 -2.585613


