%chk=000154136.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154136

0 1
 S   -2.727000      -1.368100      0.4690000    
 S    2.728000      -1.370200      0.4595000    
 O   -2.582500      -1.715300       1.862500    
 O   -3.197500      -2.325600     -0.5033000    
 O    3.199100      -2.320800     -0.5192000    
 O    2.583800      -1.726900       1.850700    
 O   3.5000001E-03  -2.926900      -1.574800    
 O   1.1000000E-03  -5.103200      3.3399999E-02
 O   -6.130600       3.435000      0.1222000    
 O    6.131900       3.433900      0.1306000    
 N   -1.248200     -0.7131000     -8.6300001E-02
 N    1.247800     -0.7114000     -8.8100001E-02
 N  -6.3000000E-03  -3.805900      0.5637000    
 C   7.9999998E-04  -1.439500      0.2733000    
 C   -1.256100     -0.1459000      -1.461300    
 C    1.253300     -0.1364000      -1.460200    
 C  -4.4999998E-03  0.6967000      -1.667400    
 C  -4.1999999E-03  -2.787900     -0.3535000    
 C   -3.744600      6.8400003E-02  0.3653000    
 C    3.745900      6.6299997E-02  0.3614000    
 C   -4.864300      5.0999999E-02 -0.4519000    
 C    4.863400      5.3300001E-02 -0.4588000    
 C   -3.410000       1.193800       1.102200    
 C    3.413800       1.187600       1.105900    
 C   -5.669400       1.187200     -0.5341000    
 C    5.668900       1.189500     -0.5365000    
 C   -4.215000       2.330000       1.020100    
 C    4.219000       2.323900       1.028200    
 C   -5.344700       2.326700      0.2018000    
 C    5.346600       2.324800      0.2071000    
 C   -7.270600       3.362600     -0.7327000    
 C    7.268700       3.366500     -0.7290000    
 H   1.4000000E-03  -1.514000       1.368100    
 H   -1.318200     -0.9410000      -2.210400    
 H   -2.118400      0.5085000      -1.610700    
 H    2.111000      0.5252000      -1.604600    
 H    1.322800     -0.9284000      -2.212200    
 H  -7.7999998E-03   1.537800     -0.9622000    
 H  -5.5000000E-03   1.118400      -2.678600    
 H   7.2800003E-02  -3.716000       1.570400    
 H   -5.138700     -0.8242000      -1.032300    
 H    5.136000     -0.8185000      -1.045200    
 H   -2.533900       1.208900       1.744100    
 H    2.539400       1.199400       1.750200    
 H   -6.531800       1.116200      -1.188100    
 H    6.529500       1.122000      -1.193300    
 H   -3.957200       3.214500       1.596000    
 H    3.962900       3.205300       1.609700    
 H   0.5811000      -5.549500      0.6732000    
 H   -7.780100       4.330000     -0.6747000    
 H   -6.980500       3.216300      -1.778700    
 H   -7.983300       2.604900     -0.3897000    
 H    6.974700       3.225700      -1.774700    
 H    7.778000       4.333900     -0.6678000    
 H    7.983100       2.607500     -0.3927000    


%chk=000154136-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154136

0 1
S -2.712933 -1.294818 0.702318
S 2.796775 -1.497897 0.151228
O -2.059998 -1.382881 2.193424
O -3.740415 -2.440929 0.163875
O 3.672792 -2.394309 -0.894698
O 2.436522 -2.059543 1.656575
O -0.534432 -3.844235 -1.265499
O 0.742303 -5.436996 0.446687
O -5.478961 4.042918 0.080168
O 5.543256 3.827951 0.844932
N -1.212105 -1.021058 -0.407303
N 1.095425 -0.979290 -0.596360
N 0.632709 -4.030870 0.697975
C -0.018470 -1.750513 0.062738
C -1.481011 -1.073582 -1.872884
C 1.076621 -1.112278 -2.087949
C -0.242164 -0.448307 -2.561541
C -0.003804 -3.272487 -0.241265
C -3.568563 0.355552 0.459871
C 3.644296 0.154101 0.334526
C -4.823702 0.355013 -0.164448
C 4.714452 0.435074 -0.526791
C -2.953247 1.521129 0.957751
C 3.206697 1.036331 1.342235
C -5.503012 1.584366 -0.313933
C 5.383422 1.670504 -0.386063
C -3.630204 2.742169 0.806564
C 3.874763 2.263187 1.478657
C -4.902671 2.776054 0.171049
C 4.959119 2.584064 0.614976
C -6.804824 4.154489 -0.541132
C 6.683537 4.221180 0.006789
H 0.056987 -1.602445 1.155216
H -1.656215 -2.106616 -2.221989
H -2.372295 -0.454004 -2.079057
H 1.944069 -0.567015 -2.497868
H 1.129215 -2.167136 -2.421799
H -0.202041 0.630430 -2.329063
H -0.331473 -0.575607 -3.656960
H 1.283253 -3.674853 1.415332
H -5.260697 -0.587824 -0.510147
H 5.028434 -0.302298 -1.273020
H -1.978244 1.470690 1.450990
H 2.382897 0.764209 2.008539
H -6.483944 1.598312 -0.796183
H 6.222717 1.901229 -1.047469
H -3.202796 3.679594 1.173147
H 3.583536 2.986609 2.245071
H 0.198337 -5.527934 -0.402315
H -7.051876 5.224460 -0.492689
H -6.780763 3.823041 -1.596783
H -7.558446 3.570121 0.020130
H 6.392478 4.283209 -1.059097
H 6.974096 5.216292 0.371834
H 7.528000 3.516447 0.127310


