%chk=000163817.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163817

0 1
 S    4.362500      0.4080000      -1.425600    
 S    3.306800      0.9567000       1.326000    
 O    2.253600     -0.8223000     -0.3776000    
 C   0.4035000     -0.1190000       1.031900    
 C   -1.053600      -1.934600      0.3003000    
 C   -1.443500       1.767800      0.4358000    
 C   -2.790700     -2.8999999E-02 -0.5051000    
 C  -0.5263000      -1.221700       1.536200    
 C  -0.1533000       1.309600       1.134000    
 C   -2.430800      -1.492800     -0.2182000    
 C   -2.688300      0.9281000      0.6793000    
 C   0.8529000     -0.5531000     -0.3688000    
 C   0.1070000      -1.846800     -0.6878000    
 C   -1.384500       1.893100      -1.084900    
 C   -2.029900      0.6341000      -1.654500    
 C    3.214800      0.1219000     -0.1211000    
 H    1.192500     -0.1909000       1.774300    
 H   -1.181700      -2.996800      0.5542000    
 H   -1.633800       2.773800      0.8370000    
 H   -3.851100     -5.8300000E-02 -0.7969000    
 H   -1.297400     -0.8888000       2.232100    
 H   7.6300003E-02  -1.947700       2.102600    
 H   0.6271000       2.013300      0.8225000    
 H  -0.3020000       1.504500       2.206500    
 H   -3.165400      -1.850400      0.5181000    
 H   -2.639400      -2.069200      -1.130400    
 H   -3.558800       1.599300      0.6446000    
 H   -2.733400      0.4526000       1.659700    
 H   0.6760000      0.2015000      -1.133400    
 H   0.7731000      -2.708100     -0.5428000    
 H  -0.2174000      -1.893000      -1.731700    
 H  -0.3772000       2.069200      -1.472200    
 H   -1.985700       2.758800      -1.393400    
 H   -2.723800      0.9130000      -2.457300    
 H   -1.298100     -2.4200000E-02  -2.121600    
 H    5.085500       1.348200     -0.8000000    


%chk=000163817-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163817

0 1
S 4.900559 -0.524775 -0.418626
S 2.947917 1.879892 -0.862096
O 2.331550 -0.742568 -0.294806
C 0.355306 -0.110526 1.141378
C -1.049964 -1.977204 0.223649
C -1.545437 1.791871 0.602923
C -2.840699 -0.039289 -0.529496
C -0.544431 -1.322583 1.543967
C -0.261008 1.306479 1.338562
C -2.450144 -1.528472 -0.291249
C -2.807703 0.892319 0.726793
C 0.841702 -0.445550 -0.304750
C 0.158947 -1.760397 -0.737471
C -1.432652 2.005842 -0.938833
C -2.003079 0.722621 -1.618669
C 3.238745 0.249302 -0.526111
H 1.256305 -0.111988 1.786347
H -1.162131 -3.068159 0.385914
H -1.758299 2.773567 1.073487
H -3.891950 -0.096396 -0.877583
H -1.362541 -1.033407 2.224246
H 0.076811 -2.062322 2.084630
H 0.537843 2.041503 1.111817
H -0.463431 1.397568 2.426677
H -3.192984 -1.940381 0.424750
H -2.625804 -2.069486 -1.246202
H -3.700441 1.547456 0.699270
H -2.856735 0.336047 1.679563
H 0.711425 0.395520 -1.003011
H 0.892792 -2.574550 -0.587447
H -0.118976 -1.767023 -1.805124
H -0.401135 2.244980 -1.257455
H -2.057899 2.875276 -1.219356
H -2.635849 0.988017 -2.485148
H -1.199415 0.082504 -2.017759
H 5.578305 0.651114 -0.680981


