%chk=000066778.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066778

0 1
 S   -2.310500     -0.1216000      0.7661000    
 O   -2.241200      -1.379000       1.487400    
 O   -2.983300       1.012600       1.372000    
 O    2.359900      -2.383000      0.1744000    
 O    3.846800     -0.8242000     -0.2479000    
 N   -2.956100     -0.3984000     -0.8089000    
 N    2.670200      -1.181300     -3.5000001E-03
 C  -0.6471000      0.3780000      0.4196000    
 C   0.3429000     -0.5842000      0.3453000    
 C  -0.3734000       1.720300      0.2321000    
 C    1.950100       1.159000     -0.1183000    
 C    1.653100     -0.1903000      7.4000001E-02
 C   0.9369000       2.114300     -3.9299998E-02
 C   -2.975700      0.7415000      -1.760500    
 C   -2.616200      -1.678000      -1.481700    
 C    3.343600       1.614200     -0.4107000    
 H   8.9800000E-02  -1.630500      0.4902000    
 H   -1.148700       2.478100      0.2850000    
 H    1.148600       3.170000     -0.1875000    
 H   -3.253100       1.667500      -1.249400    
 H   -3.732000      0.5598000      -2.530900    
 H   -2.002700      0.8649000      -2.243700    
 H   -2.762600      -2.521100     -0.8013000    
 H   -1.582200      -1.666500      -1.836700    
 H   -3.281200      -1.834600      -2.336900    
 H    3.369200       2.705600     -0.5277000    
 H    4.026400       1.405700      0.4197000    
 H    3.712100       1.221800      -1.364200    


%chk=000066778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066778

0 1
S -2.369069 -0.077819 0.723671
O -2.303199 -1.473760 1.551140
O -3.108749 1.266253 1.259504
O 2.297251 -2.470886 -0.150390
O 3.996813 -0.982008 0.123327
N -3.220160 -0.502003 -0.907659
N 2.744401 -1.270409 0.008066
C -0.566617 0.429765 0.368556
C 0.409421 -0.566948 0.301791
C -0.269684 1.795970 0.221991
C 2.121596 1.202549 -0.097072
C 1.745477 -0.165049 0.067926
C 1.071474 2.159312 -0.014281
C -3.321575 0.685197 -1.785377
C -2.635610 -1.716770 -1.519840
C 3.531134 1.693462 -0.352995
H 0.171762 -1.624024 0.454219
H -1.060948 2.546453 0.321159
H 1.324378 3.218112 -0.132071
H -3.675665 1.542716 -1.189841
H -4.090152 0.461106 -2.546969
H -2.373377 0.946658 -2.307581
H -2.498281 -2.482370 -0.738371
H -1.674476 -1.539436 -2.052740
H -3.373857 -2.103656 -2.245236
H 3.520057 2.772400 -0.580085
H 4.178256 1.519142 0.523850
H 4.012997 1.156643 -1.187993


