%chk=000092559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092559

0 1
 S   -5.358300      0.9807000      0.1333000    
 S    8.107100      -1.965200      -1.283900    
 S   -6.956600      -4.085300     -0.5447000    
 O   -5.416000      0.7914000       1.575700    
 O   -6.475100       1.609700     -0.5585000    
 O   -6.091400      -2.783500      -1.022100    
 O    2.983100       2.336600      0.3025000    
 O  -0.4277000       3.962000      -1.129000    
 O    9.299300      -1.582400     -0.2325000    
 O    8.016100      -3.417900      -1.311600    
 O    8.327200      -1.212600      -2.509200    
 O   -6.709800      -4.138800       1.066900    
 O   -8.358800      -3.781500     -0.7623000    
 O   -6.370800      -5.279000      -1.125700    
 N    3.142700      0.1343000       1.166800    
 N    2.403600     -0.6756000       2.002100    
 N   0.1953000       1.494600      0.9294000    
 N  -0.5566000       2.450000       1.232800    
 C    1.335700       1.391800       1.822500    
 C   -5.115000     -0.6130000     -0.6179000    
 C   -3.896300       1.861200     -0.2354000    
 C    1.376800      1.3000000E-02   2.388400    
 C    2.583200       1.410800      0.9883000    
 C    4.304600     -0.3568000      0.5935000    
 C   -2.810600       1.808600      0.6388000    
 C   -6.305400      -1.525400     -0.3951000    
 C   -1.642900       2.512000      0.3439000    
 C   -3.814300       2.617900      -1.404500    
 C   -1.560800       3.268400     -0.8253000    
 C   0.3323000     -0.5029000       3.316800    
 C   -2.646600       3.321800      -1.699600    
 C    4.725300      -1.656800      0.8744000    
 C    5.052700      0.4483000     -0.2656000    
 C    6.642900      -1.346600     -0.5621000    
 C    5.894400      -2.151700      0.2964000    
 C    6.222000     -4.6599999E-02 -0.8433000    
 C  -0.4314000       4.708500      -2.344100    
 H    1.385600       2.141900       2.618400    
 H   -4.943900     -0.4641000      -1.689000    
 H   -4.209300      -1.057500     -0.1926000    
 H   -2.859900       1.217300       1.549900    
 H   -7.214900      -1.083100     -0.8160000    
 H   -6.469500      -1.659500      0.6795000    
 H   -4.646200       2.666900      -2.101600    
 H  -0.6282000     -0.5506000       2.797400    
 H   0.2440000      0.1705000       4.173200    
 H   0.5979000      -1.502500       3.670800    
 H   -2.655400       3.886200      -2.625500    
 H    4.171700      -2.314300       1.539200    
 H    4.795100       1.464000     -0.5305000    
 H    6.207100      -3.164400      0.5349000    
 H    6.793600      0.6008000      -1.502600    
 H  -0.5341000       4.056700      -3.218300    
 H   -1.182200       5.505800      -2.326500    
 H   0.5461000       5.195500      -2.425200    
 H    10.20350      -1.871600     -0.4988000    
 H   -7.168900      -4.872000       1.539700    


%chk=000092559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000092559

0 1
S -4.865550 0.273835 0.527695
S 7.396049 -3.913237 -0.459904
S -6.380064 -4.537183 -1.929033
O -4.111793 -0.515375 1.746218
O -6.419143 0.780430 0.637058
O -5.484223 -2.933914 -1.945183
O 2.519813 1.161643 -1.225033
O -1.504605 5.131228 -0.829953
O 8.871441 -2.779669 -0.528205
O 7.585870 -4.915564 0.796859
O 7.131089 -4.496334 -1.945999
O -5.236840 -5.333403 -0.717980
O -7.827268 -4.417355 -1.232394
O -6.190604 -5.152413 -3.388696
N 3.319681 0.362697 0.886515
N 3.070293 0.632337 2.280139
N 0.264697 1.916786 0.768861
N -0.267258 2.993353 0.267975
C 1.723795 2.089303 0.981159
C -4.787013 -0.912701 -1.024895
C -3.813920 1.769552 0.044594
C 2.164262 1.586961 2.349560
C 2.538776 1.168928 0.027202
C 4.274373 -0.636400 0.554968
C -2.449095 1.745010 0.325191
C -5.589423 -2.161041 -0.674785
C -1.674745 2.895153 0.021372
C -4.476235 2.883924 -0.503029
C -2.314306 4.046857 -0.557595
C 1.630217 2.090557 3.651094
C -3.716054 4.026397 -0.809348
C 4.954185 -1.311557 1.605612
C 4.539187 -0.956472 -0.805957
C 6.150420 -2.589031 -0.051842
C 5.907630 -2.299229 1.300786
C 5.494112 -1.944710 -1.111996
C -2.114730 6.331988 -1.426189
H 2.022047 3.143825 0.802190
H -5.230031 -0.329757 -1.845857
H -3.716789 -1.114760 -1.179006
H -1.963487 0.881848 0.793840
H -6.644887 -1.919311 -0.453367
H -5.128089 -2.723577 0.155324
H -5.561103 2.859497 -0.652922
H 0.539815 1.912386 3.709079
H 1.785144 3.181228 3.749943
H 2.120395 1.580480 4.494986
H -4.215428 4.900221 -1.234473
H 4.727791 -1.053364 2.641346
H 4.007605 -0.436353 -1.604730
H 6.435621 -2.839833 2.092043
H 5.709504 -2.216690 -2.149746
H -2.561587 6.102615 -2.411341
H -2.875223 6.767856 -0.751893
H -1.278164 7.033153 -1.549733
H 9.672061 -3.344310 -0.736645
H -5.726217 -6.100504 -0.297381


