%chk=000085639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085639

0 1
 S    2.029400     -0.3821000       1.655400    
 S    3.953500      -1.739300     -0.1446000    
 O   -4.271000      0.9841000     -0.1335000    
 O   -3.986400     -0.8979000      -1.227100    
 N    2.875800      0.7412000     -0.6816000    
 N   -3.561400      3.8999999E-03 -0.4651000    
 C   0.3611000     -0.2669000       1.021900    
 C   -2.236400     -8.7600000E-02  3.7200000E-02
 C  -0.4406000      0.8135000       1.378700    
 C  -0.1273000      -1.258300      0.1757000    
 C   -1.742200      0.9032000      0.8854000    
 C   -1.429000      -1.168400     -0.3177000    
 C    2.991800     -0.3823000      0.1607000    
 C    3.023500      0.6448000      -2.135500    
 C    2.559200       2.092200     -0.2100000    
 H  -7.1099997E-02   1.594800       2.038100    
 H   0.4814000      -2.112300     -0.1088000    
 H   -2.342400       1.759400       1.182800    
 H   -1.781000      -1.959400     -0.9751000    
 H    3.957500       1.135500      -2.424300    
 H    2.179800       1.153200      -2.612300    
 H    3.034800     -0.3918000      -2.478400    
 H    3.246900       2.800700     -0.6821000    
 H    2.671700       2.180400      0.8725000    
 H    1.533100       2.335700     -0.4991000    


%chk=000085639-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085639

0 1
S 2.028088 0.026416 1.708667
S 4.068104 -1.675871 0.159605
O -4.649737 0.599075 0.542660
O -4.069986 -0.628097 -1.293905
N 2.945875 0.601105 -0.853144
N -3.780178 -0.010808 -0.194987
C 0.310245 0.035443 1.061214
C -2.368648 0.000223 0.243237
C -0.676875 0.694738 1.840550
C -0.056708 -0.654591 -0.122364
C -2.023922 0.675718 1.435751
C -1.399802 -0.668440 -0.539237
C 3.057695 -0.311532 0.165039
C 3.642276 0.328131 -2.133068
C 2.279883 1.919806 -0.758691
H -0.390522 1.224406 2.754925
H 0.699795 -1.193436 -0.701093
H -2.803230 1.177296 2.015324
H -1.712291 -1.194969 -1.444926
H 4.716972 0.577437 -2.054147
H 3.176184 0.934381 -2.926913
H 3.566162 -0.743395 -2.379282
H 2.921206 2.678009 -1.240715
H 2.132841 2.198353 0.294762
H 1.297274 1.906903 -1.266063


