%chk=000047362.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047362

0 1
 S   -2.944500      0.3964000     -0.5770000    
 O   -3.226300       1.721300      -1.111500    
 O   -3.474100     -0.7822000      -1.248500    
 O    1.212500       3.498500     -5.5900000E-02
 O   0.5335000      -3.485800     -0.4450000    
 O    3.018500       2.254900      4.9699999E-02
 O    2.543500      -2.631300     -0.2237000    
 N   -3.418300      0.3517000       1.064000    
 N    2.957000     -0.2068000     -7.1500003E-02
 N    1.776100       2.379200     -5.7200000E-02
 N    1.301600      -2.502500     -0.3293000    
 C   -3.715900     -0.9925000       1.572200    
 C   -4.820900     -2.3000000E-02   1.280600    
 C    3.543200     -0.9607000       1.044200    
 C    3.699900      0.5143000      0.9700000    
 C    1.551900     -6.3000001E-02 -0.1916000    
 C   -1.213700      0.2192000     -0.4284000    
 C   0.9772000       1.208000     -0.1841000    
 C   0.7436000      -1.192900     -0.3181000    
 C  -0.4056000       1.349100     -0.3026000    
 C  -0.6393000      -1.051900     -0.4362000    
 H   -3.400200      -1.116700       2.598000    
 H   -3.546500      -1.824800      0.9091000    
 H   -5.416600     -0.1426000      0.3892000    
 H   -5.263200      0.5176000       2.103900    
 H    4.425000      -1.538800      0.8027000    
 H    2.877900      -1.324800       1.816500    
 H    3.204500      0.9763000       1.821000    
 H    4.703000      0.8335000      0.7085000    
 H  -0.8717000       2.331000     -0.2907000    
 H   -1.284700      -1.921500     -0.5298000    


%chk=000047362-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047362

0 1
S -2.951944 -0.030442 -0.587733
O -3.371624 1.429027 -1.182090
O -3.382575 -1.413607 -1.339603
O 0.891457 3.490828 0.334728
O 0.879488 -3.657136 -0.148447
O 2.851889 2.592566 -0.408798
O 2.848441 -2.673177 -0.745980
N -3.511581 -0.127691 1.302261
N 3.066339 -0.093395 0.231567
N 1.616280 2.487116 -0.038066
N 1.609807 -2.614415 -0.375118
C -4.802739 -0.953575 1.410931
C -4.879195 0.553824 1.468026
C 4.036143 -0.912360 0.963504
C 4.035520 0.627159 1.061255
C 1.739090 -0.075576 -0.029512
C -1.096946 -0.050017 -0.361085
C 0.972204 1.158181 -0.087870
C 0.969205 -1.288969 -0.249068
C -0.425714 1.168311 -0.227692
C -0.429060 -1.276787 -0.389100
H -4.844824 -1.551820 2.325851
H -5.142121 -1.464141 0.500795
H -5.275789 1.095947 0.600912
H -4.976684 1.073761 2.425613
H 4.795430 -1.409022 0.353522
H 3.668367 -1.494823 1.817637
H 3.666803 1.097001 1.981860
H 4.794401 1.197773 0.519216
H -0.958723 2.124165 -0.255645
H -0.963945 -2.219506 -0.543373


