%chk=000038424.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038424

0 1
 S    3.693100      -2.263300      0.7848000    
 O   -2.926200      -1.700800     -0.3883000    
 O   -3.552300      0.4582000       1.245700    
 N    2.569400      0.8060000     -7.7100001E-02
 N    4.059300      0.9900000       1.802200    
 C    1.066800      0.6023000      -1.992700    
 C  -0.1690000      0.5607000      -1.127900    
 C    2.303400      4.6599999E-02  -1.291700    
 C  -0.9828000     -0.5609000      -1.159100    
 C  -0.4689000       1.645000     -0.3180000    
 C   -2.125500     -0.5992000     -0.3600000    
 C   -2.439700      0.4846000      0.4600000    
 C   -1.611500       1.606800      0.4809000    
 C    3.590600      0.4418000      0.6291000    
 C    4.382500     -0.7381000      9.4200000E-02
 C   -2.629700      -2.741700      0.5407000    
 C   -4.759500      0.9620000      0.6772000    
 H   0.8867000      4.3800000E-02  -2.920300    
 H    1.251300       1.639300      -2.303900    
 H    2.107500      -1.011000      -1.094400    
 H    3.117000      0.1555000      -2.018000    
 H  -0.7391000      -1.407000      -1.796100    
 H   0.1671000       2.525400     -0.2956000    
 H   -1.850100       2.454500       1.117500    
 H    4.496200     -0.8039000     -0.9864000    
 H    5.407700     -0.6582000      0.4761000    
 H   -2.710600      -2.375100       1.568800    
 H   -1.626300      -3.140900      0.3616000    
 H   -3.356900      -3.545800      0.3978000    
 H   -5.554600      0.8668000       1.421700    
 H   -5.038800      0.3837000     -0.2091000    
 H   -4.648400       2.019400      0.4167000    
 H    3.592100       1.783200       2.228000    
 H    4.873000      0.6207000       2.282600    
 H    3.853600      -1.938300       2.076200    


%chk=000038424-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038424

0 1
S 3.265759 -2.100897 1.367213
O -3.077627 -1.566443 -0.730736
O -3.332247 0.289026 1.521288
N 2.963952 0.988652 -0.492780
N 4.206473 1.377064 1.441347
C 1.135734 0.680920 -2.146790
C -0.047010 0.577538 -1.195493
C 2.455579 0.105048 -1.562981
C -1.032454 -0.424810 -1.372976
C -0.171769 1.456940 -0.087402
C -2.118936 -0.550374 -0.481545
C -2.255924 0.364512 0.600064
C -1.267373 1.352835 0.795731
C 3.811211 0.536216 0.396698
C 4.414314 -0.862238 0.475922
C -3.166518 -2.592419 0.333157
C -4.663576 0.542978 0.924441
H 0.907471 0.140234 -3.085228
H 1.326656 1.738430 -2.408934
H 2.273478 -0.934856 -1.215066
H 3.198589 0.058884 -2.389714
H -0.970094 -1.135637 -2.205126
H 0.600683 2.215283 0.074252
H -1.384733 2.037081 1.642764
H 4.547101 -1.294811 -0.527001
H 5.388332 -0.861344 0.992509
H -3.420464 -2.132824 1.305688
H -2.206899 -3.137624 0.416933
H -3.962226 -3.282001 0.011286
H -5.384970 0.408932 1.745375
H -4.871297 -0.168168 0.104447
H -4.717564 1.580238 0.541728
H 3.818863 2.319041 1.459255
H 4.992962 1.150272 2.043402
H 2.971922 -1.263579 2.431470


