%chk=000083011.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083011

0 1
 S    4.467900      0.5399000      0.5937000    
 O    4.241600     -0.8253000       1.464400    
 O   -3.147900      -1.073400       1.962600    
 O    5.040400      0.1390000     -0.6832000    
 O    5.148100       1.507800       1.440300    
 O   -4.910700       1.824900       1.507100    
 O   0.7500000      4.8799999E-02  -3.038900    
 O  -0.9607000       1.300800      -2.468800    
 N   -2.137700      -1.296300     -0.1469000    
 N  -0.9830000       2.672900     -0.4017000    
 N   0.1903000      0.8521000      -2.256300    
 N   -1.832800       1.923600      0.1266000    
 C   -1.024600      -2.129600      0.1192000    
 C  -0.5519000      -2.993600     -0.8554000    
 C    2.864800       1.163700      0.2939000    
 C   0.8849000       1.268600      -1.086700    
 C   -4.129100      4.1400000E-02  9.7400002E-02
 C   0.3061000       2.158300     -0.1841000    
 C    2.165800      0.7707000     -0.8474000    
 C    2.282900       2.054700       1.195800    
 C   -3.080600     -0.8313000      0.7604000    
 C    1.002100       2.552500      0.9565000    
 C  -0.4286000      -2.057100       1.368500    
 C   0.5460000      -3.806700     -0.5737000    
 C   -4.151700       1.469100      0.6064000    
 C   -1.185900      -3.080800      -2.205800    
 C   -3.191300       2.420300     -7.3100001E-02
 C   0.6692000      -2.870100       1.650000    
 C    1.156500      -3.744800      0.6791000    
 H   -5.109400     -0.4087000      0.2954000    
 H   -4.023000      6.0500000E-02 -0.9925000    
 H    2.629600      6.7800000E-02  -1.534500    
 H   -2.363500      -1.177400      -1.130800    
 H    2.804600       2.368900       2.095400    
 H   0.5570000       3.244900       1.666300    
 H  -0.7564000      -1.363700       2.135800    
 H   0.9398000      -4.492800      -1.318800    
 H   -3.310700       3.413700      0.3742000    
 H   -3.450100       2.481000      -1.135900    
 H   -2.246000      -3.340900      -2.117100    
 H   -1.088100      -2.131700      -2.741500    
 H  -0.7169000      -3.853200      -2.825300    
 H    1.151300      -2.815100       2.621800    
 H    2.013500      -4.375300      0.8975000    
 H    3.719300      -1.531400       1.015800    


%chk=000083011-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083011

0 1
S 4.219247 -0.115775 -0.039160
O 3.842062 -1.229252 1.379615
O -3.059462 -0.658816 1.876697
O 4.430967 -0.943953 -1.414397
O 5.336690 0.876198 0.552334
O -5.612968 1.609353 0.802386
O 0.449023 1.354253 -3.810206
O -1.375407 0.589988 -2.671829
N -1.861143 -1.140760 -0.096482
N -1.397775 2.258976 -0.433441
N -0.165179 1.054861 -2.723193
N -2.054798 2.245116 0.689410
C -0.754955 -1.896580 0.397754
C 0.017802 -2.646681 -0.548797
C 2.539713 0.740643 -0.172455
C 0.572898 1.203950 -1.450223
C -3.921901 0.200106 -0.256696
C -0.056257 1.758120 -0.302565
C 1.885966 0.697386 -1.408271
C 1.988014 1.323747 0.984139
C -2.903411 -0.560384 0.627901
C 0.684046 1.843470 0.905847
C -0.408871 -1.902030 1.776374
C 1.150317 -3.351026 -0.077401
C -4.433721 1.471792 0.419560
C -0.387190 -2.745961 -2.009994
C -3.447946 2.685252 0.542199
C 0.717223 -2.627575 2.215957
C 1.514124 -3.347462 1.292310
H -4.795161 -0.455422 -0.420472
H -3.479078 0.462220 -1.236448
H 2.352384 0.244897 -2.289648
H -1.857630 -0.945959 -1.103551
H 2.550509 1.341716 1.922268
H 0.195806 2.288201 1.777734
H -1.035612 -1.357509 2.484711
H 1.742940 -3.932538 -0.793019
H -3.744278 3.243709 1.443833
H -3.604698 3.299852 -0.369863
H -1.398444 -3.183635 -2.116689
H -0.404006 -1.769468 -2.531211
H 0.313863 -3.391985 -2.562663
H 0.970588 -2.632784 3.281357
H 2.354985 -3.958970 1.639558
H 3.081825 -1.852579 1.132428


