%chk=000133748.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133748

0 1
 S    1.431100      0.9893000      -1.150100    
 S  -0.4164000      0.2038000      -1.590300    
 O    5.508200     -0.6017000      0.7776000    
 O    3.594800       1.474800       1.153700    
 O    4.206900      -2.742100     -0.5985000    
 O   -1.522800     -0.6804000       2.364100    
 O   -2.499400       1.244500       2.764400    
 O    5.875300      0.2990000      -1.315900    
 N    4.170600     -0.6579000      0.4342000    
 N   -2.366800       3.484300     -0.1912000    
 N   -2.367900      0.2015000       2.081200    
 N   -6.488300      -1.492000      0.1701000    
 N   -7.355300      -1.104900     -0.6435000    
 N   -8.151400     -0.7559000      -1.383200    
 C    1.956600     -6.8599999E-02  0.2289000    
 C    2.146600      -1.528400     -0.2088000    
 C   -1.498000       1.185000     -0.5226000    
 C    3.325100      0.3779000      0.6873000    
 C    3.636200      -1.750200     -0.1725000    
 C   -2.819600      0.4700000     -0.3130000    
 C   -1.611900       2.611700      -1.090200    
 C   -3.205000      1.2600000E-02  0.9472000    
 C   -3.655700      0.2735000      -1.412100    
 C   -4.426500     -0.6411000       1.108300    
 C   -4.877200     -0.3803000      -1.250900    
 C   -5.262600     -0.8378000      9.1000004E-03
 C    6.291400     -8.0600001E-02 -0.2295000    
 C    7.737800     -4.6200000E-02  0.2072000    
 C    8.644300      0.5403000     -0.8609000    
 H    1.253900      1.4300000E-02   1.064000    
 H    1.686500      -2.206300      0.5188000    
 H    1.767800      -1.770700      -1.205200    
 H  -0.9719000       1.268300      0.4330000    
 H   -2.109000       2.615500      -2.067000    
 H  -0.6260000       3.067500      -1.230600    
 H   -3.377600      0.6167000      -2.404900    
 H   -4.732700     -0.9999000       2.088900    
 H   -5.481800     -0.5338000      -2.140500    
 H   -1.897900       3.531900      0.7124000    
 H   -2.368400       4.432900     -0.5638000    
 H    7.809400      0.5596000       1.116600    
 H    8.054700      -1.070000      0.4319000    
 H    8.597500     -4.8700001E-02  -1.783000    
 H    9.682400      0.5530000     -0.5150000    
 H    8.351500       1.567000      -1.104500    


%chk=000133748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133748

0 1
S 1.502340 1.050352 -1.517781
S -0.598645 0.277715 -1.840035
O 5.562640 -0.568574 0.909683
O 3.653269 1.606079 0.884044
O 4.308621 -2.930992 -0.213150
O -0.814297 0.065596 1.652248
O -2.449582 -0.545703 3.104747
O 6.104728 0.032609 -1.316584
N 4.217263 -0.658967 0.459969
N -2.485906 3.854632 -0.552340
N -2.054483 -0.173498 1.935315
N -6.502639 -1.418691 0.504958
N -7.495387 -1.459365 -0.283619
N -8.516460 -1.626494 -0.860841
C 2.002604 -0.058887 -0.037055
C 2.219363 -1.547929 -0.399486
C -1.598323 1.488863 -0.678030
C 3.349220 0.463211 0.492716
C 3.679945 -1.865840 -0.069353
C -2.861333 0.724428 -0.329932
C -1.795253 2.863027 -1.377842
C -3.079975 -0.036760 0.862596
C -3.943646 0.736083 -1.255767
C -4.287219 -0.718251 1.118895
C -5.148109 0.048598 -1.037435
C -5.326036 -0.685335 0.166595
C 6.491927 -0.198555 -0.169443
C 7.884587 -0.188779 0.416960
C 8.917963 0.434193 -0.540257
H 1.221057 0.085570 0.724547
H 1.558915 -2.216174 0.178472
H 2.044783 -1.752164 -1.469025
H -0.948510 1.606500 0.199729
H -2.323573 2.743746 -2.340898
H -0.789623 3.246651 -1.628431
H -3.825311 1.300960 -2.185018
H -4.411673 -1.271877 2.052164
H -5.941367 0.080928 -1.792762
H -1.954178 4.254322 0.222094
H -3.468406 3.676563 -0.338544
H 7.848779 0.342257 1.385770
H 8.145712 -1.238395 0.656600
H 8.939193 -0.101534 -1.504114
H 9.924452 0.385869 -0.090469
H 8.681073 1.491416 -0.748689


