%chk=000083997.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083997

0 1
 S    2.133900       1.292500      -1.432600    
 O    2.474900      -2.166600     -0.1768000    
 O    4.557800      -1.298000     -0.4075000    
 O   -4.058300      -1.652300     -0.5256000    
 N    3.719600     -1.5699999E-02   2.106300    
 N   -3.419700      0.3530000      0.5372000    
 C    2.931700     -4.6200000E-02  0.8725000    
 C    3.070900       1.283700      0.1293000    
 C   0.4694000       1.010900     -0.8424000    
 C   -2.121100      0.5727000      7.6800004E-02
 C  -0.2368000     -0.1084000      -1.273100    
 C  -0.1109000       1.912600      4.5000002E-02
 C   -1.535000     -0.3279000     -0.8126000    
 C   -1.409000       1.692900      0.5056000    
 C    3.421900      -1.220500      4.6200000E-02
 C   -4.282200     -0.7052000      0.2212000    
 C   -5.607000     -0.5776000      0.9306000    
 H    1.889500     -0.2231000       1.159400    
 H    2.741400       2.120200      0.7551000    
 H    4.119500       1.471600     -0.1297000    
 H   0.2058000     -0.8201000      -1.965400    
 H   0.4220000       2.796300      0.3860000    
 H   -2.022600      -1.216300      -1.188700    
 H   -1.854200       2.403900       1.197100    
 H    3.544300     -0.8632000       2.645100    
 H    3.409900      0.7603000       2.690400    
 H   -3.776100       1.054800       1.182700    
 H   -5.451100     -0.6101000       2.012600    
 H   -6.263600      -1.402600      0.6408000    
 H   -6.084600      0.3677000      0.6580000    
 H    2.815800      -2.903300     -0.7275000    


%chk=000083997-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083997

0 1
S 2.008019 1.178006 -1.459620
O 4.513957 -2.316440 0.310989
O 4.935853 -0.524621 -1.104859
O -4.348552 -1.625600 -0.148802
N 3.614172 -0.338418 2.081578
N -3.734667 0.538470 0.529145
C 3.183243 -0.341991 0.665497
C 2.952314 1.102250 0.186915
C 0.286375 0.958236 -0.828067
C -2.394062 0.629270 0.056565
C -0.416183 -0.241139 -1.088771
C -0.365010 2.002624 -0.127468
C -1.749453 -0.415662 -0.658338
C -1.689888 1.837559 0.318138
C 4.288872 -1.009878 -0.158200
C -4.631203 -0.529133 0.416854
C -6.005069 -0.272672 1.033538
H 2.251319 -0.931377 0.484228
H 2.363178 1.662815 0.931307
H 3.909245 1.617681 0.012449
H 0.082887 -1.045889 -1.638610
H 0.159096 2.947621 0.052128
H -2.292398 -1.340316 -0.860227
H -2.184661 2.655534 0.858202
H 3.979778 -1.241317 2.400530
H 2.912429 0.052347 2.717499
H -4.083845 1.369362 1.011689
H -6.220254 -1.067028 1.768401
H -6.771387 -0.345470 0.242315
H -6.101489 0.708395 1.530634
H 5.243485 -2.737220 -0.219640


