%chk=000068833.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068833

0 1
 S    1.256300       2.820200       1.445900    
 S   -4.056300     -0.3375000      0.1351000    
 O   -3.730600      -1.742100     -8.6999997E-02
 O   -5.032500     -5.4000001E-03   1.167200    
 N    2.608100      -3.089900      0.2220000    
 N    1.104800      0.1885000     -0.2025000    
 N   -4.570700      0.3583000      -1.363100    
 C   0.2116000      -2.077200      0.2677000    
 C    1.159300      -1.223100     -0.6046000    
 C   0.2069000      -3.492400     -0.3399000    
 C   0.7872000      -2.204700       1.689000    
 C    2.595300      -1.778200     -0.4680000    
 C    1.654200      -4.002000     -0.4458000    
 C    2.167300      -2.880800       1.620000    
 C  -0.1324000      0.6815000      0.2837000    
 C    2.274200      0.9673000     -0.3936000    
 C  -0.1966000       1.878400       1.024500    
 C    2.448500       2.192800      0.2796000    
 C   -1.354300      2.3800001E-02  2.1900000E-02
 C    3.296100      0.5757000      -1.286100    
 C   -2.575200      0.5162000      0.4908000    
 C   -1.427200       2.366700       1.498300    
 C    3.606700       2.965100      8.0600001E-02
 C   -2.611300       1.687100       1.232700    
 C    4.442700       1.349600      -1.484000    
 C    4.599700       2.544000     -0.7974000    
 C   -4.839900       1.818600      -1.385600    
 C   -3.891800     -0.1006000      -2.601600    
 H  -0.8440000      -1.928700      0.4157000    
 H   0.8465000      -1.296400      -1.656100    
 H  -0.2633000      -3.483000      -1.330400    
 H  -0.3779000      -4.174700      0.2902000    
 H   0.1198000      -2.811900       2.313500    
 H   0.8689000      -1.226500       2.175000    
 H    3.033900      -1.994300      -1.448700    
 H    3.295700      -1.193200      0.1338000    
 H    1.728400      -5.003400     -3.8999999E-03
 H    1.933700      -4.125200      -1.499700    
 H    2.906200      -2.275000       2.159300    
 H    2.140600      -3.843700       2.145700    
 H   -1.420600     -0.7053000     -0.7878000    
 H    3.153300     -0.1949000      -2.035400    
 H   -1.476000       3.285400       2.079500    
 H    3.746100       3.907200      0.6071000    
 H   -3.545600       2.094800       1.606800    
 H    5.185300       1.042000      -2.214700    
 H    5.483700       3.154100     -0.9554000    
 H   -5.363000       2.129200     -0.4771000    
 H   -5.493300       2.055400      -2.231400    
 H   -3.911000       2.386400      -1.487700    
 H   -3.822800      -1.191400      -2.623100    
 H   -2.891400      0.3335000      -2.679800    
 H   -4.476500      0.2025000      -3.476000    


%chk=000068833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068833

0 1
S 1.414285 2.187097 1.934633
S -4.191475 -0.148493 -0.368627
O -3.838227 -1.627451 -0.950298
O -5.341161 0.126139 0.747325
N 2.874653 -3.295380 0.420079
N 1.111460 -0.086013 -0.016077
N -4.731696 0.858375 -1.886280
C 0.442042 -2.443297 0.645201
C 1.198946 -1.538072 -0.382999
C 0.449298 -3.896822 0.095600
C 1.151187 -2.394866 2.025396
C 2.698882 -2.067472 -0.394631
C 1.941979 -4.358917 -0.057268
C 2.595166 -2.983875 1.855798
C -0.143018 0.477669 0.360093
C 2.119609 0.849504 -0.427861
C -0.180605 1.577425 1.267069
C 2.367070 1.999272 0.369555
C -1.374790 -0.003813 -0.158221
C 2.844576 0.706299 -1.640611
C -2.567629 0.572199 0.300351
C -1.399049 2.149167 1.687899
C 3.321709 2.963831 -0.006976
C -2.629140 1.627893 1.224777
C 3.827435 1.651544 -2.004511
C 4.074028 2.780506 -1.190300
C -5.085641 2.242977 -1.497861
C -3.736354 0.734961 -2.975542
H -0.603154 -2.118190 0.763249
H 0.745067 -1.703098 -1.387568
H -0.088566 -3.943024 -0.870936
H -0.101454 -4.546022 0.801077
H 0.562451 -2.981358 2.754744
H 1.186949 -1.353022 2.392101
H 3.018812 -2.293136 -1.427601
H 3.379479 -1.298921 0.008690
H 2.141600 -5.275335 0.525883
H 2.189882 -4.577310 -1.112375
H 3.362836 -2.269903 2.204508
H 2.721909 -3.917799 2.432125
H -1.409748 -0.824114 -0.881354
H 2.640736 -0.146505 -2.294783
H -1.387500 2.986516 2.392764
H 3.478950 3.845511 0.623043
H -3.589484 2.004333 1.588733
H 4.390338 1.511698 -2.933607
H 4.832071 3.516900 -1.475415
H -5.711343 2.208250 -0.590570
H -5.695781 2.667012 -2.316023
H -4.206638 2.905386 -1.329698
H -3.467130 -0.327864 -3.092373
H -2.818237 1.346635 -2.823167
H -4.228786 1.065774 -3.907959


