%chk=000067569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067569

0 1
 S  -0.8997000       1.914900       1.396000    
 O   -5.426400     -0.2471000      0.4772000    
 N   5.6600001E-02 -0.1380000     -0.7334000    
 N    2.734600      -2.012300      0.6416000    
 C   0.6336000      -1.320300      -1.386600    
 C   0.5698000      -2.526200     -0.4475000    
 C   -1.326200     -0.1743000     -0.4217000    
 C   0.9105000      0.9744000     -0.5247000    
 C    1.323300      -2.301200      0.8652000    
 C   -1.883900      0.7223000      0.5113000    
 C   0.5740000       1.985300      0.3974000    
 C   -2.211300      -1.077000      -1.051000    
 C    2.110900       1.142100      -1.249300    
 C   -3.257300      0.6867000      0.8116000    
 C    1.420500       3.090900      0.5943000    
 C   -3.576400      -1.104600     -0.7525000    
 C    3.388800      -3.132000     -3.7999999E-02
 C    3.409200      -1.723700       1.908500    
 C    2.946400       2.245100      -1.052800    
 C   -4.099300     -0.2241000      0.1822000    
 C    2.602300       3.219100     -0.1279000    
 H   0.1194000      -1.532900      -2.331400    
 H    1.678000      -1.228600      -1.683300    
 H  -0.4620000      -2.784200     -0.1883000    
 H   0.9399000      -3.413300     -0.9742000    
 H    1.205000      -3.194500       1.493500    
 H   0.8537000      -1.478800       1.418200    
 H   -1.876300      -1.777900      -1.810100    
 H    2.424800      0.4654000      -2.036800    
 H   -3.674200       1.377100       1.543200    
 H    1.166600       3.866400       1.314200    
 H   -4.222300      -1.815500      -1.260600    
 H    3.058700      -3.234700      -1.075800    
 H    3.234800      -4.084200      0.4827000    
 H    4.470000      -2.958200     -0.1002000    
 H    3.379100      -2.576000       2.596900    
 H    2.945500     -0.8628000       2.403100    
 H    4.457200      -1.455600       1.734800    
 H    3.857800       2.345500      -1.635100    
 H    3.247100       4.078500      2.7600000E-02
 H   -5.613700      0.4337000       1.146200    


%chk=000067569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067569

0 1
S -0.662754 1.568052 1.793848
O -5.458220 -0.102938 0.317272
N 0.158837 -0.142091 -0.599603
N 2.827780 -2.423208 0.658194
C 0.767836 -1.312044 -1.276699
C 0.583086 -2.619189 -0.471596
C -1.252713 -0.136047 -0.359303
C 0.887905 1.081306 -0.507409
C 1.365614 -2.578930 0.860070
C -1.804350 0.653941 0.683857
C 0.582095 2.021395 0.517712
C -2.154188 -0.896150 -1.154288
C 1.919673 1.418007 -1.426880
C -3.192683 0.708169 0.917511
C 1.262169 3.250342 0.616448
C -3.540706 -0.885257 -0.907844
C 3.489004 -3.670876 0.227121
C 3.504245 -1.815660 1.823057
C 2.631703 2.630431 -1.303388
C -4.062787 -0.078845 0.126435
C 2.307040 3.555874 -0.286502
H 0.387281 -1.429174 -2.313886
H 1.854974 -1.136391 -1.328134
H -0.484684 -2.805162 -0.252343
H 0.928671 -3.461862 -1.102409
H 1.126555 -3.495264 1.457598
H 1.007698 -1.709674 1.442457
H -1.770337 -1.504072 -1.978400
H 2.158693 0.736843 -2.248466
H -3.582011 1.351151 1.716523
H 0.986822 3.955883 1.407701
H -4.227083 -1.482178 -1.514885
H 3.027005 -4.053480 -0.699778
H 3.435563 -4.482747 0.997551
H 4.554734 -3.472019 0.013438
H 3.461782 -2.451165 2.743939
H 3.038940 -0.841625 2.054608
H 4.568369 -1.637824 1.583003
H 3.430396 2.857875 -2.018039
H 2.850716 4.501799 -0.197060
H -5.723572 0.502205 1.053070


