%chk=000176009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176009

0 1
 S   -6.602700      0.1485000     -0.3210000    
 O   -6.983500       1.434300     -0.8879000    
 O   -7.202500      -1.074800     -0.8361000    
 C    4.851900       1.633500     -4.0199999E-02
 C    5.923000     -0.6508000     -0.1187000    
 C    6.110400      0.8448000     -0.4994000    
 C    3.826100      0.5299000      4.5800000E-02
 C    4.421300     -0.7393000      2.4000001E-03
 C    5.056700       2.303700       1.324100    
 C    4.482600       2.699200      -1.081500    
 C    6.604900     -0.9980000       1.210500    
 C    6.477300      -1.555600      -1.227800    
 C    2.448800      0.6611000      0.1807000    
 C    3.644200      -1.888400      9.3599997E-02
 C    1.666200     -0.4915000      0.2644000    
 C    2.260300      -1.758700      0.2210000    
 C   0.2213000     -0.3763000      0.3920000    
 C  -0.3222000     -0.3202000       1.805100    
 C  -0.6404000     -0.3239000     -0.6602000    
 C   -2.103200     -0.2079000     -0.5756000    
 C   -2.876700      -1.358200     -0.5213000    
 C   -2.687700       1.050200     -0.5531000    
 C   -4.864800      1.1000000E-02 -0.4192000    
 C   -4.265000      -1.248200     -0.4429000    
 C   -4.076000       1.160300     -0.4745000    
 C   -6.943700      0.1978000       1.423900    
 C   -8.426500      0.3176000       1.695900    
 H    7.035900       1.264500     -8.6499996E-02
 H    6.207200      0.9277000      -1.591900    
 H    5.877800       3.028300       1.285000    
 H    4.154200       2.841100       1.639100    
 H    5.285900       1.582300       2.113500    
 H    5.299800       3.417600      -1.211600    
 H    4.271100       2.250500      -2.059300    
 H    3.590400       3.261700     -0.7838000    
 H    6.448800      -2.051700       1.470800    
 H    7.685700     -0.8273000       1.152200    
 H    6.218400     -0.4063000       2.045100    
 H    6.345200      -2.616400     -0.9862000    
 H    5.972100      -1.376100      -2.184200    
 H    7.548700      -1.379800      -1.376100    
 H    1.994200       1.646900      0.2234000    
 H    4.096300      -2.874600      7.1300000E-02
 H    1.652100      -2.658200      0.2892000    
 H   0.1018000      0.5407000       2.334600    
 H  -3.8199998E-02  -1.227000       2.351400    
 H   -1.409000     -0.2331000       1.875900    
 H  -0.2503000     -0.3669000      -1.675300    
 H   -2.421400      -2.345000     -0.5376000    
 H   -2.084000       1.953100     -0.5942000    
 H   -4.859700      -2.156000     -0.3945000    
 H   -4.521000       2.151000     -0.4503000    
 H   -6.548900     -0.7215000       1.866800    
 H   -6.409600       1.055700       1.843200    
 H   -8.614100      0.3490000       2.773500    
 H   -8.838200       1.229800       1.252200    
 H   -8.976000     -0.5329000       1.280000    


%chk=000176009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176009

0 1
S -6.676199 0.386075 -0.344058
O -6.992888 1.740670 -1.213207
O -7.307099 -1.073760 -0.746647
C 4.659765 1.673922 -0.232585
C 6.113025 -0.420962 -0.083629
C 6.068487 1.068397 -0.586291
C 3.813997 0.410059 -0.021256
C 4.624178 -0.749977 0.065099
C 4.705351 2.520535 1.073614
C 4.124413 2.559549 -1.386965
C 6.833919 -0.548366 1.290976
C 6.820670 -1.342160 -1.110966
C 2.418545 0.322374 0.127662
C 4.026995 -2.004026 0.305233
C 1.791991 -0.939215 0.355631
C 2.625578 -2.092543 0.453143
C 0.310510 -1.075678 0.500940
C -0.184059 -2.208270 1.390762
C -0.527844 -0.183948 -0.132183
C -1.999537 -0.111130 -0.148895
C -2.867059 -1.237108 0.004330
C -2.598966 1.161968 -0.405928
C -4.798419 0.193695 -0.241088
C -4.269062 -1.091575 -0.042799
C -3.996291 1.328977 -0.449553
C -7.247635 0.752011 1.485099
C -8.763204 0.922680 1.481737
H 6.891007 1.670184 -0.157721
H 6.193501 1.076499 -1.686267
H 5.347108 3.410612 0.932003
H 3.693314 2.869666 1.351955
H 5.105597 1.938603 1.922531
H 4.812772 3.405036 -1.574238
H 4.028263 1.979452 -2.322673
H 3.131959 2.984371 -1.143938
H 6.787046 -1.588300 1.664902
H 7.899699 -0.267593 1.194308
H 6.372629 0.104090 2.053089
H 6.838300 -2.393143 -0.765630
H 6.308840 -1.313326 -2.090045
H 7.868885 -1.021233 -1.260304
H 1.808864 1.233160 0.100390
H 4.638202 -2.911969 0.371622
H 2.169392 -3.074138 0.620414
H 0.537552 -2.404249 2.202018
H -0.310618 -3.155114 0.828571
H -1.155720 -1.962790 1.850159
H -0.046710 0.613172 -0.716356
H -2.447671 -2.240318 0.105269
H -1.949896 2.030389 -0.569020
H -4.938066 -1.956134 0.027908
H -4.456908 2.297566 -0.671437
H -6.891208 -0.123469 2.051093
H -6.689422 1.661727 1.758364
H -9.112588 1.132330 2.509608
H -9.064601 1.764431 0.834856
H -9.263386 0.005495 1.126094


