%chk=000051514.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051514

0 1
 S   -1.064300       2.506600     -0.4615000    
 O   0.7092000      -3.145300      0.4823000    
 O   -1.521800       3.794300      3.6100000E-02
 O   0.1790000       1.935500      3.1800002E-02
 O    5.218300     -0.3153000      -1.529300    
 O    6.426300       1.442100      0.2537000    
 O   -7.013400      0.5098000      0.3730000    
 O   -6.383700       2.676100      9.5299996E-02
 N   -1.052200     -0.8366000     -0.1371000    
 N   -2.757100      -2.226100      0.1823000    
 N   -1.009600       2.558100      -2.167300    
 C   -2.169000     -4.1900001E-02 -9.4200000E-02
 C   0.3129000     -0.3964000     -0.3272000    
 C   -3.220000     -0.9327000      0.1060000    
 C   -1.454800      -2.131900      3.2900002E-02
 C   -2.344700       1.337400     -0.2096000    
 C    1.040000     -7.4600004E-02  0.9827000    
 C   -4.530900     -0.4353000      0.1987000    
 C   -3.656000       1.815100     -0.1149000    
 C    2.480000      0.3292000      0.7844000    
 C   -4.731100      0.9462000      8.5600004E-02
 C  -0.5756000      -3.243000      4.6999998E-02
 C    3.188900     -0.1848000     -0.2903000    
 C    3.069700       1.206800       1.681100    
 C  -0.8510000      -4.532500     -0.3498000    
 C    4.520600      0.1880000     -0.4729000    
 C   -6.080700       1.481800      0.1790000    
 C    4.401300       1.579500       1.498500    
 C    5.126700       1.070100      0.4214000    
 C   0.3385000      -5.271500     -0.1454000    
 C    1.257700      -4.382900      0.3620000    
 C    5.176400      0.4269000      -2.746400    
 C    6.970400       2.347400       1.212100    
 H   0.8056000      -1.252100     -0.8000000    
 H   0.3670000      0.2905000      -1.175200    
 H    1.083500     -0.9943000       1.582800    
 H   0.4983000      0.6003000       1.657200    
 H   -5.341100      -1.139300      0.3547000    
 H   -3.850500       2.881500     -0.2081000    
 H    2.768300     -0.8902000     -0.9969000    
 H    2.512600       1.607400       2.523200    
 H   -1.789000      -4.903200     -0.7397000    
 H  -0.1945000       2.140400      -2.632700    
 H   -1.361700       3.405100      -2.630000    
 H    4.806200       2.267900       2.232200    
 H   0.5053000      -6.320400     -0.3433000    
 H    2.289100      -4.468400      0.6715000    
 H   -7.919600      0.8805000      0.4342000    
 H    5.589900       1.429800      -2.600900    
 H    4.149300      0.4942000      -3.118900    
 H    5.784000     -9.7700000E-02  -3.488800    
 H    6.991600       1.908400       2.215500    
 H    8.010600       2.533700      0.9250000    
 H    6.456800       3.314700       1.190700    


%chk=000051514-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051514

0 1
S -1.547889 2.952376 0.038477
O 0.759202 -2.977626 -0.717196
O -2.473654 4.273151 0.242932
O -0.227156 2.751409 0.963972
O 5.706516 -1.227098 -0.279549
O 6.518691 1.485403 0.108193
O -7.342387 0.173636 0.724931
O -6.819810 2.437938 0.730257
N -1.143969 -0.636800 -0.297668
N -2.835065 -2.198645 -0.119672
N -0.892848 2.838530 -1.684099
C -2.320773 0.081277 -0.061214
C 0.241373 -0.113268 -0.436494
C -3.370442 -0.920525 0.042241
C -1.510662 -2.009221 -0.315704
C -2.702730 1.439688 0.074232
C 1.029533 -0.157646 0.901212
C -4.714979 -0.572741 0.266980
C -4.038135 1.794247 0.299032
C 2.462676 0.309030 0.692640
C -5.047107 0.792322 0.392993
C -0.634622 -3.143654 -0.533282
C 3.460004 -0.605531 0.271808
C 2.828631 1.663546 0.877241
C -0.946908 -4.499879 -0.598545
C 4.794124 -0.207222 0.053123
C -6.442188 1.246478 0.627067
C 4.163062 2.081053 0.672941
C 5.158815 1.157332 0.276146
C 0.284190 -5.211396 -0.830063
C 1.295220 -4.265327 -0.896637
C 6.616053 -0.996455 -1.420076
C 6.926145 2.853983 0.433635
H 0.757079 -0.728391 -1.189283
H 0.179863 0.913005 -0.825736
H 1.020310 -1.194746 1.283182
H 0.518325 0.492105 1.631580
H -5.482591 -1.345693 0.341257
H -4.314939 2.849085 0.412537
H 3.218328 -1.662969 0.117049
H 2.067096 2.387599 1.187193
H -1.947983 -4.909763 -0.489997
H -0.063031 3.453569 -1.748256
H -1.633577 3.102592 -2.356210
H 4.424965 3.129432 0.846713
H 0.405993 -6.287583 -0.932335
H 2.370027 -4.306603 -1.049966
H -8.255079 0.535447 0.883314
H 7.294452 -0.151410 -1.221619
H 6.036267 -0.805147 -2.344673
H 7.182423 -1.935003 -1.522992
H 6.696354 3.099440 1.488360
H 8.014757 2.873490 0.276193
H 6.439756 3.592078 -0.233664


