%chk=000028849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028849

0 1
 S   -5.290300     -0.1251000      -1.104400    
 O    2.022900       1.023800     -0.7631000    
 O   0.3844000     -9.2900001E-02   1.185300    
 O  -0.9176000     -0.9947000     -0.4938000    
 O   -4.097700       1.235000       1.174400    
 N   -1.882800      0.4921000       1.069400    
 C    3.065200       1.981400     -0.5878000    
 C    2.256000     -0.2364000     -0.3012000    
 C    2.558800       3.118300      0.2869000    
 C    3.524700       2.476500      -1.950700    
 C    1.461900     -0.8158000      0.6624000    
 C    3.327800     -0.9673000     -0.8139000    
 C    1.683100      -2.088100       1.140900    
 C    3.577200      -2.258700     -0.3492000    
 C    2.754900      -2.819000      0.6282000    
 C  -0.8236000     -0.2672000      0.4921000    
 C   -3.233200      0.5512000      0.6196000    
 C   -3.555400     -0.2870000     -0.6056000    
 C   -1.556700       1.304900       2.245000    
 C   -5.259800      -1.230900      -2.534300    
 H    3.930000       1.539000     -7.4699998E-02
 H    3.331800       3.876500      0.4443000    
 H    2.239800       2.736400       1.262800    
 H    1.682900       3.597700     -0.1639000    
 H    4.323800       3.218000      -1.855500    
 H    3.891700       1.648200      -2.565000    
 H    2.692400       2.929000      -2.501100    
 H    3.973100     -0.5526000      -1.582700    
 H    1.043600      -2.523900       1.902000    
 H    4.410200      -2.828900     -0.7500000    
 H    2.948800      -3.824700      0.9898000    
 H   -3.364100      -1.338800     -0.3753000    
 H   -2.932500      4.9500000E-02  -1.439000    
 H  -0.7701000       2.017500       1.975500    
 H   -1.179800      0.6481000       3.035800    
 H   -2.415300       1.859700       2.629700    
 H   -4.983300      -2.243000      -2.227700    
 H   -6.255100      -1.264300      -2.985100    
 H   -4.551700     -0.8664000      -3.283000    


%chk=000028849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028849

0 1
S -4.854805 0.778738 -1.263318
O 1.863962 0.975686 0.118836
O 0.382951 -0.772070 1.600998
O -0.587740 -0.729295 -0.540775
O -3.808093 1.138270 1.427951
N -1.688133 0.178133 1.366183
C 2.467157 1.905406 -0.885289
C 2.428491 -0.283863 0.318318
C 1.818962 3.261252 -0.592842
C 2.191010 1.394115 -2.308840
C 1.642777 -1.195500 1.076965
C 3.706146 -0.706789 -0.124454
C 2.113808 -2.471452 1.415192
C 4.181819 -1.995506 0.209791
C 3.396784 -2.879744 0.981425
C -0.637056 -0.451335 0.676138
C -2.928882 0.556025 0.742445
C -3.129725 0.227809 -0.729216
C -1.527940 0.495696 2.812020
C -4.701799 0.184028 -3.045748
H 3.558264 1.964897 -0.691122
H 2.226037 4.031863 -1.271635
H 2.012587 3.570696 0.448189
H 0.726588 3.203672 -0.742599
H 2.613285 2.096074 -3.050939
H 2.633966 0.398796 -2.482733
H 1.102618 1.315374 -2.474302
H 4.338485 -0.037640 -0.715204
H 1.472758 -3.130597 2.008590
H 5.173979 -2.304140 -0.136828
H 3.770281 -3.875386 1.239155
H -3.010650 -0.854556 -0.906859
H -2.367898 0.733518 -1.346200
H -0.634053 1.120293 2.961827
H -1.417776 -0.431255 3.396516
H -2.431879 1.035500 3.127931
H -4.548730 -0.906846 -3.083096
H -5.654684 0.435873 -3.536977
H -3.876872 0.701360 -3.562395


