%chk=000042947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042947

0 1
 S   -4.922700      -1.504100     -0.2600000    
 S    2.134300      -5.521300      0.8091000    
 O   -1.813700       1.326400      -1.571500    
 O   -5.405200       3.387400     -0.1974000    
 O   -4.228400       2.626500       1.600500    
 O   0.5604000     -0.8080000      -1.618000    
 O    2.466500      0.6195000      0.4696000    
 O    3.901400      -1.154700     -2.8600000E-02
 N   -3.371500      0.5549000      2.4800001E-02
 N  -0.8624000      -1.319800      0.1392000    
 C   -3.329500     -0.8673000      0.3767000    
 C   -5.748500      0.1353000      5.6200001E-02
 C   -4.649500       1.167400     -0.2765000    
 C   -2.113800     -0.9947000     -0.5517000    
 C   -2.300900      0.5120000     -0.8206000    
 C   -6.948600      0.2768000     -0.8819000    
 C   -6.217900      0.1535000       1.517200    
 C   -4.718500       2.446400      0.4955000    
 C   0.3906000      -1.196700     -0.4635000    
 C    1.548100      -1.574400      0.4609000    
 C    1.844700      -3.046900      0.3050000    
 C    2.791000     -0.7193000      0.2493000    
 C    2.269500      -3.617900     -0.9110000    
 C    1.724000      -3.940900       1.325000    
 C    2.467100      -4.974800     -0.7791000    
 C    3.552000       1.481100      0.2970000    
 C    3.782000       2.012300     -0.9530000    
 C    4.351300       1.765900       1.381900    
 C    4.866700       2.872200      -1.126700    
 C    5.435700       2.625700       1.208400    
 C    5.693500       3.178800     -4.6000000E-02
 C    6.852400       4.098700     -0.2311000    
 H   -3.158000      -1.025300       1.446000    
 H   -4.637600       1.405700      -1.349000    
 H   -2.257000      -1.613700      -1.444300    
 H   -6.653300      0.2126000      -1.935600    
 H   -7.438000       1.247000     -0.7393000    
 H   -7.700500     -0.4989000     -0.6962000    
 H   -6.750900       1.083600       1.745800    
 H   -5.385100      7.0699997E-02   2.224300    
 H   -6.914300     -0.6681000       1.724200    
 H  -0.8937000      -1.665400       1.095500    
 H    1.243100      -1.388400       1.500900    
 H   -5.463800       4.234300      0.2941000    
 H    2.428700      -3.086900      -1.840700    
 H    1.418100      -3.764100       2.346900    
 H    2.791300      -5.671200      -1.539600    
 H    3.137700       1.774100      -1.793400    
 H    4.150000       1.336100       2.358200    
 H    5.055700       3.298300      -2.108500    
 H    6.071400       2.858600       2.058600    
 H    7.670700       3.845500      0.4515000    
 H    6.545500       5.132200     -4.2800002E-02
 H    7.252100       4.031200      -1.248600    


%chk=000042947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042947

0 1
S -4.028458 0.905026 -1.672448
S 0.797312 -3.763429 3.063095
O -3.443212 1.420568 2.788449
O -7.737207 -0.427757 1.347811
O -6.027581 -1.991578 1.571852
O 0.483612 1.605170 -0.123102
O 3.688561 0.855905 0.798020
O 2.808891 -0.577102 -0.844244
N -4.142393 0.099526 0.870207
N -0.900164 0.112501 1.011438
C -3.178329 -0.024831 -0.252570
C -5.752345 0.292845 -0.993352
C -5.567768 0.255967 0.592994
C -2.126715 0.766554 0.618701
C -3.277398 0.870981 1.686788
C -6.825148 1.317223 -1.401401
C -6.036722 -1.102649 -1.589993
C -6.407453 -0.859232 1.223711
C 0.338055 0.599656 0.627394
C 1.560817 -0.141779 1.250953
C 1.295984 -1.588868 1.632907
C 2.724341 -0.008836 0.259400
C 1.159765 -2.675790 0.679791
C 1.126612 -2.006332 2.947461
C 0.894570 -3.895448 1.272984
C 4.819859 1.272958 0.014126
C 4.671960 1.758118 -1.300639
C 6.068615 1.261881 0.661457
C 5.816743 2.233416 -1.974426
C 7.200532 1.745475 -0.031037
C 7.095199 2.239100 -1.356873
C 8.310215 2.785878 -2.086389
H -2.907990 -1.047933 -0.551187
H -5.919006 1.215098 1.017460
H -1.872876 1.746806 0.179657
H -6.566440 2.332122 -1.053173
H -7.798097 1.032472 -0.960447
H -6.939997 1.345221 -2.499208
H -7.034137 -1.466405 -1.275403
H -5.285194 -1.848808 -1.279654
H -6.028090 -1.042834 -2.690732
H -0.933378 -0.716322 1.612005
H 1.830177 0.437162 2.152981
H -8.285393 -1.151797 1.756051
H 1.282850 -2.536273 -0.396405
H 1.188747 -1.417067 3.861827
H 0.754229 -4.869345 0.807954
H 3.691894 1.760953 -1.784296
H 6.144157 0.882132 1.684854
H 5.712114 2.609232 -2.999090
H 8.176955 1.737631 0.467338
H 9.247906 2.362968 -1.685664
H 8.373805 3.886676 -1.983320
H 8.269219 2.561093 -3.166914


