%chk=000148518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148518

0 1
 S   -1.710500       2.015400       1.451400    
 S    5.537200     -0.9635000     -0.6867000    
 O   -3.906400      -2.594400       1.081300    
 O   -2.611400       2.120700      -1.470500    
 O    5.153200      -2.358000      -1.439300    
 O    6.243600      -1.301300      0.5348000    
 O    6.135800     -8.1200004E-02  -1.670900    
 N    3.970800      0.5164000      0.3930000    
 N    4.014700     -0.4889000     -0.3498000    
 C   -3.931700      -1.230600     -0.8894000    
 C   -2.577100      0.7620000      0.5170000    
 C   -3.587800      -1.431300      0.4474000    
 C   -2.921200      0.9629000     -0.8198000    
 C   -3.598400     -3.3399999E-02  -1.522900    
 C   -2.910600     -0.4350000       1.150600    
 C   -4.656900      -2.285400      -1.657700    
 C  -1.1100000E-02   1.566900       1.134600    
 C   0.6403000      0.6744000       1.983000    
 C   0.6575000       2.111000      4.0500000E-02
 C    1.967600      0.3241000       1.735600    
 C    1.984900       1.760700     -0.2068000    
 C    2.640000      0.8672000      0.6407000    
 C   -2.947400      -3.648400       1.021900    
 C   -3.575200       3.169700      -1.418100    
 H   -3.860800      0.1288000      -2.565700    
 H   -2.650000     -0.6043000       2.193200    
 H   -5.442300      -2.747400      -1.050300    
 H   -5.149100      -1.868200      -2.543100    
 H   -3.958700      -3.059400      -1.990900    
 H   0.1328000      0.2414000       2.841200    
 H   0.1649000       2.810800     -0.6298000    
 H    2.469800     -0.3723000       2.402200    
 H    2.500600       2.190200      -1.061700    
 H   -3.365800      -4.520600       1.531600    
 H   -2.026000      -3.353400       1.534100    
 H   -2.727500      -3.921800     -1.4400000E-02
 H   -3.856000       3.403900     -0.3867000    
 H   -4.465300       2.891700      -1.991200    
 H   -3.134300       4.062000      -1.870700    
 H    4.629500      -2.997200     -0.9015000    


%chk=000148518-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148518

0 1
S -0.981901 0.880666 1.673149
S 6.658507 0.516480 0.193654
O -5.395873 -1.872111 1.213924
O -1.591036 1.425414 -1.341476
O 5.342645 1.264022 -1.068245
O 7.923228 1.549024 0.104579
O 5.841012 0.603025 1.631575
N 4.126893 -1.291159 -0.579363
N 5.228267 -1.548357 -0.897778
C -4.655199 -0.670118 -0.808167
C -2.360692 0.211637 0.652777
C -4.436401 -1.078221 0.539125
C -2.558379 0.632833 -0.688835
C -3.694763 0.186334 -1.398904
C -3.302792 -0.644011 1.262119
C -5.884033 -1.120010 -1.571887
C 0.523606 0.182720 0.928445
C 1.756714 0.597509 1.508567
C 0.510415 -0.726494 -0.164361
C 2.979030 0.127894 1.012083
C 1.715301 -1.226997 -0.667489
C 2.939364 -0.791736 -0.079392
C -5.262490 -3.326546 0.999193
C -1.809116 2.887017 -1.246954
H -3.818151 0.521119 -2.434979
H -3.177968 -0.968433 2.299402
H -6.728745 -1.289695 -0.883305
H -6.181917 -0.369472 -2.323409
H -5.699643 -2.068879 -2.112526
H 1.761766 1.301456 2.347541
H -0.436165 -1.033386 -0.614766
H 3.957924 0.439270 1.423617
H 1.725289 -1.927106 -1.508333
H -6.067930 -3.788085 1.589728
H -4.278709 -3.686601 1.357930
H -5.383344 -3.589896 -0.069606
H -1.781598 3.217139 -0.191653
H -2.776954 3.166135 -1.705581
H -0.979779 3.343777 -1.806504
H 5.515314 2.248040 -1.077694


