%chk=000083905.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083905

0 1
 I   -1.328700       3.804300      -2.249700    
 I  -0.9935000       1.250000       3.283400    
 S    1.738900      0.6119000     -0.5339000    
 O    6.115100     -0.9492000      -1.616600    
 O   -1.973400      -2.342700      -1.657100    
 O  -0.2858000       3.111100      0.7334000    
 N    4.474900      -1.176100      4.0800001E-02
 N    5.156300      0.8918000     -0.5304000    
 N   -3.767100      -2.152200     -0.1984000    
 C    3.734800     -0.3016000      0.9307000    
 C    4.144400       1.119100      0.4826000    
 C    2.213500     -0.4555000      0.8513000    
 C    2.947100       1.878200     -8.4899999E-02
 C    1.703200      -1.876300      0.6782000    
 C   0.1753000      -1.923300      0.6496000    
 C    5.339200     -0.4683000     -0.8019000    
 C  -0.3327000      -3.360800      0.5033000    
 C   -1.858500      -3.441000      0.4999000    
 C   -2.512600      -2.601300     -0.5844000    
 C   -4.576900      -1.313900      -1.049800    
 C   -4.901900      3.2800000E-02 -0.4081000    
 C   -3.671700      0.8522000     -0.1042000    
 C   -3.037400      0.7260000       1.131500    
 C   -3.169600       1.736600      -1.058900    
 C   -2.033200       2.495000     -0.7776000    
 C   -1.901000       1.484500       1.412900    
 C   -1.398900       2.368900      0.4582000    
 H    4.090100     -0.5181000       1.944700    
 H    4.616600       1.687900       1.290500    
 H    1.776100     -1.6600000E-02   1.754700    
 H    3.197500       2.507300     -0.9438000    
 H    2.499600       2.508600      0.6898000    
 H    2.091500      -2.328000     -0.2433000    
 H    2.068700      -2.492200       1.509600    
 H    4.444900      -2.190000      8.2699999E-02
 H    5.682300       1.631500     -0.9852000    
 H  -0.2187000      -1.506100       1.582200    
 H  -0.2131000      -1.312400     -0.1684000    
 H   5.4200001E-02  -3.978500       1.322500    
 H   5.5000000E-02  -3.786800     -0.4303000    
 H   -2.172100      -4.480000      0.3466000    
 H   -2.231000      -3.128800       1.483000    
 H   -4.158700      -2.448000      0.6909000    
 H   -4.083400      -1.166000      -2.016700    
 H   -5.507400      -1.861000      -1.235700    
 H   -5.567200      0.6018000      -1.069500    
 H   -5.467600     -0.1233000      0.5199000    
 H   -3.437300      3.4400001E-02   1.869800    
 H   -3.671600       1.824700      -2.019800    
 H  -7.9599999E-02   3.658400     -4.3800000E-02


%chk=000083905-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083905

0 1
I -1.139856 2.650019 -2.721111
I -1.126325 1.653118 3.376738
S 2.270456 0.971519 -0.958474
O 6.642783 -1.057231 -1.049975
O -2.508836 -2.132770 -1.768367
O -0.099410 2.465727 0.458383
N 4.645415 -1.129861 0.247690
N 5.624377 0.852726 -0.053955
N -4.044661 -2.201300 -0.016225
C 3.781796 -0.225860 1.010260
C 4.446395 1.193010 0.746423
C 2.293894 -0.206664 0.555997
C 3.429418 2.110955 0.016494
C 1.701807 -1.593452 0.249440
C 0.155799 -1.647736 0.241907
C 5.738000 -0.507798 -0.368997
C -0.363934 -3.078593 -0.037201
C -1.854669 -3.291880 0.308259
C -2.807687 -2.484163 -0.587033
C -5.068406 -1.398376 -0.698672
C -5.289460 -0.005600 -0.031624
C -3.987290 0.767232 0.102307
C -3.360863 0.922707 1.362294
C -3.326690 1.264302 -1.047587
C -2.057565 1.860372 -0.941868
C -2.078675 1.499225 1.456241
C -1.376582 1.951309 0.307984
H 3.799817 -0.478315 2.090783
H 4.737444 1.674081 1.700706
H 1.697133 0.306579 1.335694
H 3.921028 2.795004 -0.692117
H 2.822882 2.684352 0.738479
H 2.104880 -1.961980 -0.713878
H 2.064157 -2.294605 1.033634
H 4.523307 -2.137108 0.197587
H 6.314978 1.524002 -0.378356
H -0.217969 -1.295776 1.226280
H -0.252727 -0.958397 -0.520698
H 0.230399 -3.807964 0.550756
H -0.212356 -3.318510 -1.106295
H -2.105581 -4.364130 0.174492
H -2.038328 -3.051324 1.374942
H -4.208378 -2.481272 0.952686
H -4.712873 -1.274205 -1.736156
H -6.028881 -1.948566 -0.729115
H -6.022153 0.548205 -0.650690
H -5.752073 -0.142023 0.964944
H -3.864501 0.572542 2.269043
H -3.797025 1.168786 -2.030589
H 0.526189 2.158687 -0.281159


