%chk=000097414.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097414

0 1
 S    3.488700       1.220600      0.2724000    
 O   -2.990100      0.4578000      7.5000003E-02
 O   -2.501700      -1.686700     -0.6042000    
 N    1.569500     -0.6342000      0.3446000    
 N   0.8914000       1.610700     -0.2100000    
 N  -3.2800000E-02  -2.378100      0.4443000    
 C  -0.7443000     -0.1525000     -0.1116000    
 C   0.2809000      -1.014500      0.2204000    
 C  -0.3763000       1.161500     -0.3173000    
 C    1.800400      0.6732000      0.1189000    
 C   -2.133700     -0.5600000     -0.2458000    
 C    4.406200     -0.2718000     -0.2032000    
 C   -4.391100      0.1780000     -1.7300000E-02
 C    5.900900     -2.0900000E-02 -0.1402000    
 C   -5.168100       1.417000      0.3740000    
 H   -1.091900       1.929400     -0.5943000    
 H    4.154500      -1.092700      0.4759000    
 H    4.121300     -0.5642000      -1.219000    
 H   -4.638000     -0.1061000      -1.046200    
 H   -4.642300     -0.6471000      0.6582000    
 H    6.203600      0.7780000     -0.8257000    
 H    6.221400      0.2482000      0.8720000    
 H    6.443700     -0.9272000     -0.4289000    
 H   -6.245200       1.238300      0.3142000    
 H   -4.916200       1.723300       1.394600    
 H   -4.911500       2.255600     -0.2817000    
 H  -0.6368000      -2.533400       1.246800    
 H  -0.3805000      -2.859700     -0.3804000    


%chk=000097414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097414

0 1
S 3.527206 1.274462 -0.007564
O -3.099857 0.549745 0.068667
O -2.599406 -1.725743 0.014967
N 1.584932 -0.655761 -0.025355
N 0.884190 1.688187 0.045871
N 0.030087 -2.402969 -0.046751
C -0.801362 -0.090454 0.025594
C 0.269503 -1.062129 -0.015037
C -0.408033 1.273841 0.054902
C 1.820607 0.677547 0.004407
C -2.205494 -0.515973 0.035483
C 4.487164 -0.363460 -0.074302
C -4.551791 0.190363 0.079682
C 5.989397 -0.050176 -0.097011
C -5.326183 1.503188 0.115415
H -1.173642 2.054402 0.087915
H 4.190982 -0.951270 0.808453
H 4.153272 -0.899263 -0.976558
H -4.767005 -0.406330 -0.825138
H -4.745092 -0.443355 0.963890
H 6.265418 0.553905 -0.979514
H 6.305045 0.496970 0.809044
H 6.562599 -0.994521 -0.139752
H -6.411558 1.294489 0.121030
H -5.079855 2.083491 1.020873
H -5.096380 2.121232 -0.769150
H 0.825248 -3.038680 -0.075095
H -0.947993 -2.719237 -0.039465


