%chk=000067226.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067226

0 1
 S    5.105900       1.844000     -4.3600000E-02
 S    3.682200      -3.351500      7.4800000E-02
 O    5.059700       2.557400       1.423100    
 O    3.801700      -3.799700      -1.493000    
 O    6.348000       1.096900     -0.1221000    
 O    4.759000       2.833200      -1.046600    
 O    5.022400      -3.418800      0.6388000    
 O    2.586500      -4.096400      0.6751000    
 O   -7.726900      -1.825900      5.9900001E-02
 O   -8.246800      0.3064000      1.2600000E-02
 N   -1.962500      0.7078000     -1.8500000E-02
 N   -1.035200     -0.2515000      3.7000000E-03
 N   -1.580700       1.985900     -4.7800001E-02
 N   -7.396100     -0.6158000      2.9100001E-02
 C    1.465600      1.4400000E-02 -2.2000000E-03
 C    2.438000       1.056700     -2.5800001E-02
 C   0.1089000      0.4552000     -1.2400000E-02
 C    3.788400      0.6783000     -1.7100001E-02
 C    1.845400      -1.342000      2.8800000E-02
 C  -0.2416000       1.881600     -4.5200001E-02
 C    3.196900      -1.674600      3.6400001E-02
 C    4.163200     -0.6698000      1.3600000E-02
 C    2.063700       2.434000     -5.7399999E-02
 C   0.7322000       2.894900     -6.8099998E-02
 C   -3.316100      0.3779000     -1.1300000E-02
 C   -3.697600     -0.9580000      1.8900000E-02
 C   -4.269800       1.388700     -2.9700000E-02
 C   -5.052800      -1.288200      3.0900000E-02
 C   -5.624900       1.058700     -1.7600000E-02
 C   -6.016500     -0.2798000      1.2700000E-02
 H    1.081800      -2.115100      3.8300000E-02
 H    5.209900     -0.9582000      1.4800000E-02
 H    2.794700       3.234500     -1.6100001E-02
 H   0.4889000       3.950100     -7.9200000E-02
 H   -2.979900      -1.773600      3.4800000E-02
 H   -4.007800       2.443000     -5.2400000E-02
 H    5.205900       1.956700       2.191300    
 H   -5.321400      -2.341200      5.5399999E-02
 H   -6.348200       1.870200     -3.1599998E-02
 H    4.473800      -3.309700      -2.022700    


%chk=000067226-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000067226

0 1
S 5.295412 1.885971 0.004096
S 3.677175 -3.433637 0.042516
O 5.013413 2.447597 1.748970
O 3.828428 -3.581144 -1.798571
O 6.671460 1.046458 -0.092251
O 5.052768 3.148916 -0.977181
O 5.140819 -3.608177 0.704988
O 2.415971 -4.307680 0.548091
O -7.850129 -1.930007 0.003451
O -8.406518 0.283700 -0.005848
N -2.023781 0.712793 -0.003226
N -1.030528 -0.250642 -0.002429
N -1.605249 2.031544 -0.005176
N -7.543460 -0.676247 -0.001178
C 1.483492 0.074732 -0.003497
C 2.490956 1.120092 -0.004957
C 0.111760 0.508050 -0.003860
C 3.844691 0.668525 0.008258
C 1.850781 -1.297073 -0.001048
C -0.236229 1.904780 -0.005633
C 3.202965 -1.621427 0.008359
C 4.240878 -0.667335 0.015336
C 2.102673 2.522375 -0.008962
C 0.773916 2.918594 -0.008368
C -3.407882 0.363292 -0.002231
C -3.776073 -1.004521 0.004032
C -4.379466 1.394313 -0.007601
C -5.139019 -1.346073 0.004476
C -5.741868 1.050854 -0.007129
C -6.103602 -0.314392 -0.001283
H 1.082118 -2.076836 0.006811
H 5.298212 -0.956237 0.037881
H 2.887913 3.281739 -0.025353
H 0.497538 3.976099 -0.012362
H -3.000225 -1.772976 0.008764
H -4.057226 2.437729 -0.012174
H 5.742810 3.090970 1.989133
H -5.466195 -2.388703 0.009378
H -6.523280 1.814703 -0.011314
H 4.182481 -4.494023 -2.010307


