%chk=000101352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101352

0 1
 S  -0.4389000      0.3635000      -1.289400    
 O  -0.1961000     -0.7553000      -2.181400    
 O  -0.5719000       1.699600      -1.840200    
 N   0.7522000      0.3722000     -4.2399999E-02
 N    3.409300       2.902000     -0.3335000    
 N    3.451000      -3.655400      0.5205000    
 C   0.5963000       1.356500       1.058600    
 C    1.248900     -0.9379000      0.4501000    
 C   -1.928600      1.1900000E-02 -0.3986000    
 C    1.961900       1.800400       1.567000    
 C    2.494100      -1.354600     -0.3222000    
 C   -2.675300       1.061200      0.1043000    
 C   -2.313000      -1.304700     -0.2241000    
 C   -3.848200      0.7842000      0.8065000    
 C   -3.486000      -1.581600      0.4780000    
 C   -4.253700     -0.5373000      0.9933000    
 C    2.769900       2.415900      0.5040000    
 C    3.028100      -2.640600      0.1496000    
 H   7.1999999E-03  0.9230000       1.874800    
 H   5.8899999E-02   2.239300      0.6942000    
 H   0.4710000      -1.701300      0.3417000    
 H    1.462000     -0.9132000       1.525200    
 H    1.816400       2.529500       2.372900    
 H    2.518200      0.9658000       2.006200    
 H    2.273600      -1.426700      -1.392900    
 H    3.268400     -0.5853000     -0.2195000    
 H   -2.376400       2.096200     -2.7799999E-02
 H   -1.731000      -2.132100     -0.6171000    
 H   -4.445700       1.597300       1.208500    
 H   -3.801700      -2.610600      0.6237000    
 H   -5.166900     -0.7531000       1.540200    


%chk=000101352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101352

0 1
S -0.468415 0.594696 -1.119065
O -0.026276 -0.524708 -2.210162
O -0.656153 2.173305 -1.453437
N 0.846577 0.532686 0.181108
N 3.893974 2.590278 -0.745905
N 2.964146 -3.857006 0.797495
C 0.922800 1.705362 1.062246
C 1.166631 -0.820436 0.668225
C -2.079740 -0.028983 -0.329571
C 2.397729 2.070664 1.396858
C 2.289574 -1.476356 -0.191305
C -2.873753 0.897375 0.368304
C -2.414518 -1.382989 -0.499840
C -4.070548 0.421598 0.951602
C -3.615360 -1.837806 0.094111
C -4.433762 -0.940621 0.820100
C 3.217724 2.357866 0.208525
C 2.674161 -2.792497 0.341651
H 0.387232 1.550419 2.024972
H 0.452994 2.550407 0.526987
H 0.275747 -1.482033 0.674573
H 1.496094 -0.735714 1.721059
H 2.395995 2.957867 2.059452
H 2.875889 1.249919 1.964888
H 1.926128 -1.575161 -1.230593
H 3.171586 -0.810890 -0.219643
H -2.587402 1.952909 0.421164
H -1.779338 -2.040666 -1.102174
H -4.720367 1.114701 1.495598
H -3.911201 -2.885615 -0.019526
H -5.364147 -1.299772 1.272503


