%chk=000131768.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131768

0 1
 S    1.743100       3.046500      6.0699999E-02
 O  -0.8805000       1.571700     -0.4698000    
 O   -5.303700     -0.1387000     -4.8000000E-02
 O    2.136800       2.700100       1.461800    
 N   0.7869000      -2.049000      0.5874000    
 N    1.114700     -0.3402000     -0.8029000    
 N    3.525100     -0.5648000     -0.9840000    
 C   -1.202200     -0.7835000     -0.1102000    
 C   0.2198000      -1.029400     -0.1288000    
 C   -1.709700      0.5055000     -0.2808000    
 C    2.135600      -2.013800      0.3593000    
 C   -2.075500      -1.855200      8.1100002E-02
 C  -0.9493000       2.622500      0.4910000    
 C    2.312200     -0.9418000     -0.5082000    
 C   -3.087500      0.7221000     -0.2597000    
 C   4.6900000E-02   3.709500      0.1321000    
 C   -3.959200     -0.3498000     -6.8200000E-02
 C   -3.453100      -1.638500      0.1022000    
 C    3.204100      -2.784000      0.8052000    
 C    4.456000      -2.408700      0.3252000    
 C    4.554300      -1.324400     -0.5402000    
 C    2.522400       4.623500     -0.3570000    
 C   -6.137100      -1.279500      0.1517000    
 H   0.3103000      -2.705300       1.191900    
 H   -1.717400      -2.874600      0.2021000    
 H  -0.7304000       2.216500       1.486600    
 H   -1.950700       3.066500      0.5096000    
 H   -3.498300       1.717000     -0.4104000    
 H  -0.1794000       4.111400     -0.8608000    
 H   1.2800000E-02   4.519900      0.8662000    
 H   -4.073300      -2.515700      0.2519000    
 H    3.074400      -3.620300       1.480800    
 H    5.344300      -2.956200      0.6233000    
 H    5.527800      -1.024600     -0.9195000    
 H    2.152400       4.969300      -1.325000    
 H    3.602700       4.472000     -0.4174000    
 H    2.304200       5.365200      0.4152000    
 H   -6.035000      -2.000600     -0.6664000    
 H   -7.174100     -0.9281000      0.1403000    
 H   -5.965400      -1.736700       1.132200    


%chk=000131768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131768

0 1
S 1.168630 3.716040 1.261970
O -0.559370 1.428630 -0.191802
O -5.135178 -0.009015 0.395063
O -0.119131 4.052863 2.287456
N 0.992389 -2.322753 0.428247
N 1.294265 -0.624364 -1.081736
N 3.676592 -1.071972 -1.550462
C -1.016252 -0.919538 -0.081478
C 0.409053 -1.230778 -0.263364
C -1.512073 0.426694 -0.069707
C 2.325018 -2.410497 0.031081
C -1.955620 -1.966551 0.085289
C -0.999075 2.831420 -0.288893
C 2.498069 -1.334444 -0.919230
C -2.888510 0.683388 0.089547
C 0.268656 3.632571 -0.492436
C -3.796781 -0.390595 0.248377
C -3.336048 -1.729873 0.251554
C 3.399141 -3.256219 0.362856
C 4.619568 -2.977701 -0.293835
C 4.708321 -1.900176 -1.222764
C 1.982891 5.435234 0.967808
C -6.128860 -1.070527 0.583092
H 0.531418 -2.869290 1.154225
H -1.604621 -3.004151 0.035434
H -1.494514 3.157563 0.652939
H -1.687456 2.954087 -1.149079
H -3.286092 1.700299 0.119408
H 0.969833 3.151693 -1.191087
H 0.050257 4.678675 -0.761384
H -4.022956 -2.572907 0.358517
H 3.308987 -4.079787 1.078858
H 5.507589 -3.586072 -0.096091
H 5.659247 -1.693987 -1.727228
H 2.637842 5.382624 0.083904
H 2.557523 5.663892 1.876736
H 1.157304 6.150611 0.835305
H -6.166091 -1.744783 -0.294182
H -7.089682 -0.546616 0.689863
H -5.919283 -1.657890 1.497728


