%chk=000096048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096048

0 1
 S   -1.853200      0.2824000      4.4500001E-02
 O    5.195300      0.7470000      0.9694000    
 O    5.995700      -1.684400     -0.9648000    
 O    7.045500      0.5585000      -2.104800    
 O    6.988100       2.811100       1.677300    
 O   -8.922500       1.245700      -1.398000    
 O   -8.990400       1.513800      0.7798000    
 N    3.056700      3.5900000E-02  0.2240000    
 N    1.231800       1.302400      1.3300000E-02
 N    2.019800      -2.148300      0.4620000    
 N  -0.4138000      -1.990900      0.3689000    
 N   0.6682000      -4.048500      0.6567000    
 N   -8.395100       1.150100     -0.2634000    
 C    5.133900     -0.5507000      -1.048500    
 C    4.474600     -0.3172000      0.3119000    
 C    5.924900      0.7260000      -1.263100    
 C    6.324500       1.099800      0.1538000    
 C    6.640600       2.574900      0.3242000    
 C    1.991100     -0.8172000      0.2969000    
 C    2.548000       1.297600      5.4099999E-02
 C   0.8705000     -1.3000000E-02  0.1638000    
 C  -0.3672000     -0.6469000      0.2043000    
 C   0.7652000      -2.648400      0.4858000    
 C   -3.134400      -1.004400      0.1641000    
 C   -4.522000     -0.4356000      5.1700000E-02
 C   -5.117000     -0.3245000      -1.197900    
 C   -5.191000     -2.9200001E-02   1.198800    
 C   -6.404300      0.2026000      -1.302500    
 C   -6.478300      0.4978000       1.094100    
 C   -7.084900      0.6137000     -0.1565000    
 H    4.429100     -0.7417000      -1.864300    
 H    4.539600      -1.197500      0.9618000    
 H    5.265200       1.489900      -1.692800    
 H    7.178400      0.5031000      0.5000000    
 H    5.775100       3.202400      8.8100001E-02
 H    7.480800       2.880400     -0.3057000    
 H    5.437200      -2.460700     -0.7876000    
 H    7.511600       1.410200      -2.150200    
 H    3.176200       2.173000     -3.8199998E-02
 H    6.234800       2.534100       2.226500    
 H   -3.030400      -1.533000       1.119200    
 H   -2.977200      -1.748500     -0.6258000    
 H    1.511900      -4.597000      0.7496000    
 H  -0.2437000      -4.483300      0.6825000    
 H   -4.595500     -0.6409000      -2.097100    
 H   -4.727400     -0.1141000       2.177700    
 H   -6.845300      0.2781000      -2.293200    
 H   -6.978200      0.8081000       2.008200    


%chk=000096048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096048

0 1
S -1.832127 0.462868 0.189684
O 5.388042 0.942102 1.196728
O 6.242981 -1.846218 0.309171
O 6.747212 -0.464792 -1.907898
O 6.690126 3.479499 0.647726
O -9.017997 1.548176 -1.131777
O -9.056678 1.222058 1.125607
N 3.162611 0.142035 0.819619
N 1.280507 1.467621 0.833418
N 2.115084 -2.039355 0.276187
N -0.324571 -1.838658 -0.013204
N 0.773528 -3.897165 -0.227139
N -8.471483 1.168201 -0.024631
C 5.148403 -1.018822 -0.184059
C 4.578279 -0.265710 1.034417
C 5.710880 0.129250 -1.062642
C 6.250994 1.137451 -0.018728
C 6.158104 2.615070 -0.403961
C 2.088822 -0.704344 0.523569
C 2.609506 1.430529 1.011275
C 0.931968 0.138895 0.527173
C -0.296807 -0.506183 0.233393
C 0.865363 -2.547485 0.022457
C -3.067252 -0.939369 -0.236191
C -4.468306 -0.385030 -0.180485
C -5.118343 0.053754 -1.364696
C -5.159011 -0.293338 1.058429
C -6.429599 0.565123 -1.324516
C -6.469847 0.214121 1.120628
C -7.087711 0.635956 -0.077642
H 4.384768 -1.629666 -0.695704
H 4.660178 -0.875663 1.949555
H 4.902020 0.580949 -1.672870
H 7.285475 0.870672 0.268007
H 5.103366 2.870824 -0.645776
H 6.786164 2.822199 -1.289846
H 6.889502 -1.950649 -0.439563
H 7.134365 0.205988 -2.520992
H 3.232625 2.275484 1.286382
H 6.239576 3.240012 1.498331
H -2.888034 -1.737055 0.500405
H -2.794289 -1.312236 -1.234577
H 1.614953 -4.466047 -0.194117
H -0.136645 -4.306812 -0.415089
H -4.590362 -0.006139 -2.322634
H -4.659863 -0.620173 1.977075
H -6.946396 0.905687 -2.225363
H -7.017580 0.289082 2.063465


