%chk=000005696.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005696

0 1
 S   7.7699997E-02   1.919800      0.3850000    
 S   -4.872400      -2.770200     -0.4832000    
 S   -5.201800       2.569200      0.8472000    
 O   0.6056000       1.995600      -1.156400    
 O   -5.553900      -2.106100      -1.809000    
 O  -0.1537000       3.281000      0.8314000    
 O   0.9436000       1.021600       1.124500    
 O   -5.612400       3.208500     -0.6004000    
 O   -4.713700      -4.189700     -0.7447000    
 O   -5.590800      -2.298400      0.6864000    
 O   -6.327600       1.758900       1.288300    
 O   -4.685700       3.640800       1.684300    
 O    1.785300      -2.726600      0.3198000    
 O    3.734000       2.401100      -2.468000    
 O    6.278700      -2.166500       2.225500    
 O    5.818300       2.562300      -1.798400    
 O    7.568200     -0.5788000       1.428700    
 N   0.7008000     -0.7372000     -0.3055000    
 N    4.697300       1.999700      -1.771500    
 N    6.463200      -1.170000       1.485900    
 C   -1.714400     -0.2243000     -3.7599999E-02
 C   -3.041500     -0.7143000     -8.1200004E-02
 C   -1.490600       1.124800      0.2820000    
 C  -0.6504000      -1.097900     -0.3150000    
 C   -3.265400      -2.063200     -0.4011000    
 C   -4.105600      0.1594000      0.1960000    
 C   -3.864700       1.496800      0.5117000    
 C   -2.559700       1.978700      0.5546000    
 C  -0.8912000      -2.435400     -0.6311000    
 C   -2.196200      -2.917000     -0.6741000    
 C    1.803000      -1.542800      3.9999999E-04
 C    3.122100     -0.8591000     -4.9800001E-02
 C    4.149900      -1.338400      0.7349000    
 C    3.275000      0.2320000     -0.8793000    
 C    4.512700      0.8735000     -0.9260000    
 C    5.387500     -0.6968000      0.6881000    
 C    5.569000      0.4091000     -0.1423000    
 H   -5.141100     -0.1441000      0.1164000    
 H   -2.413500       3.028000      0.7868000    
 H  -0.1085000      -3.132200     -0.9113000    
 H   -2.339000      -3.959800     -0.9403000    
 H   0.8999000      0.2006000     -0.5919000    
 H   4.2900000E-02   2.521700      -1.772000    
 H   -5.096900      -2.298100      -2.661500    
 H    3.988400      -2.196700       1.381400    
 H    2.498800      0.5379000      -1.568100    
 H   -5.916300       2.559800      -1.278100    
 H    6.534100      0.9093000     -0.1787000    


%chk=000005696-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005696

0 1
S 0.030564 2.032560 0.774532
S -4.979862 -3.007714 -0.323136
S -5.402547 2.575655 0.374948
O 0.740315 1.944954 -0.968784
O -5.406376 -2.260454 -1.966894
O -0.351476 3.563427 1.099225
O 1.018724 1.229108 1.763464
O -5.228028 3.169915 -1.370359
O -4.810083 -4.607225 -0.456440
O -5.987224 -2.387273 0.781268
O -6.763992 1.725780 0.536879
O -5.035466 3.790486 1.375194
O 1.835992 -2.784017 0.406034
O 3.463208 2.910503 -1.843634
O 6.559503 -2.368670 1.797377
O 5.742072 2.854222 -1.820155
O 7.812768 -0.586464 1.114029
N 0.729458 -0.847878 -0.366575
N 4.598415 2.334602 -1.572759
N 6.713522 -1.255041 1.172561
C -1.686135 -0.335579 0.005702
C -3.067699 -0.836417 -0.067486
C -1.579486 1.069692 0.316031
C -0.607777 -1.286891 -0.239158
C -3.260171 -2.239129 -0.251688
C -4.181359 0.060948 0.036290
C -3.942006 1.401871 0.250162
C -2.652687 1.945165 0.426762
C -0.894141 -2.657949 -0.384734
C -2.219631 -3.144969 -0.381280
C 1.869147 -1.598797 -0.033034
C 3.183663 -0.869500 -0.176602
C 4.305280 -1.390011 0.513172
C 3.325569 0.314509 -0.927087
C 4.547542 1.010067 -0.905478
C 5.527919 -0.694493 0.454475
C 5.683917 0.523537 -0.236231
H -5.208995 -0.311742 -0.026353
H -2.508964 3.003439 0.678456
H -0.067362 -3.354488 -0.519581
H -2.425502 -4.212042 -0.510456
H 0.871847 0.125216 -0.687357
H 1.518314 2.575903 -1.088960
H -6.361894 -2.481749 -2.171253
H 4.214643 -2.318613 1.084551
H 2.515050 0.712140 -1.538032
H -5.865904 3.929901 -1.508240
H 6.636333 1.060006 -0.236565


