%chk=000002265.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002265

0 1
 S  -0.3031000      0.3792000      -1.609900    
 O   -2.440000      -1.892300      -1.240200    
 O   -4.096000      -1.722200      0.1910000    
 N   -1.534500       1.902700      0.2762000    
 N    2.846400       1.150300     -0.9043000    
 N   -3.282800      0.7329000      0.9880000    
 N   0.5357000      -1.520300      0.1226000    
 N    4.270900      9.3699999E-02  0.4460000    
 N   -3.062900      -1.241000     -0.3546000    
 N    2.751600      -1.676200       1.131200    
 C   -1.546800      0.7425000     -0.3987000    
 C    2.157600      8.4100001E-02 -0.3999000    
 C   0.8755000     -0.4037000     -0.5598000    
 C   -2.603000      2.7600000E-02  2.6500000E-02
 C   -2.613300       1.857000       1.114700    
 C    3.063000     -0.5562000      0.4355000    
 C  -0.6065000       3.007800      0.1901000    
 C    4.106800       1.113900     -0.3689000    
 C    1.481200      -2.079800      0.9146000    
 H   -2.862600       2.662700       1.792000    
 H   0.3689000       2.671600      0.5490000    
 H  -0.5500000       3.341800     -0.8488000    
 H  -0.9628000       3.830600      0.8156000    
 H    2.492900       1.841800      -1.552300    
 H    4.851900       1.857500     -0.6132000    
 H    1.175000      -2.973600       1.447300    


%chk=000002265-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002265

0 1
S 0.253110 2.342425 -0.660471
O -0.383503 0.005665 -2.972456
O -2.599183 -0.358814 -3.349424
N -1.940707 1.347001 0.781317
N 1.769011 -0.677882 -1.347980
N -3.078641 -0.056820 -0.597785
N 2.021416 1.819278 1.427517
N 3.431240 -1.745170 -0.166458
N -1.635941 -0.004274 -2.586740
N 3.577998 -0.065064 1.662045
C -1.192203 1.287761 -0.403167
C 2.018594 0.113015 -0.238886
C 1.531140 1.324254 0.272972
C -1.933149 0.411626 -1.230177
C -3.049640 0.518385 0.617478
C 3.066752 -0.566347 0.501212
C -1.630246 2.179049 1.960200
C 2.633317 -1.769788 -1.253325
C 3.022130 1.106880 2.064934
H -3.785992 0.357688 1.401242
H -0.564622 2.088107 2.222803
H -1.851003 3.238743 1.749528
H -2.248891 1.835642 2.803938
H 1.036876 -0.483079 -2.060168
H 2.645639 -2.559901 -2.001148
H 3.399599 1.544018 2.992698


