%chk=000163652.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163652

0 1
 S   0.7326000      -2.377800      0.4229000    
 O    5.257200     -0.4024000      0.2591000    
 O    2.506000       1.863300     -0.1235000    
 N    2.543200     -0.4523000      0.1994000    
 N  -0.9029000      -2.092300      0.3415000    
 N    4.508000      0.7772000      7.7200003E-02
 C   -2.434200     -0.2839000      4.9899999E-02
 C   -1.084600     -0.7871000      0.1544000    
 C   -5.033700      0.6856000     -0.1516000    
 C   -2.722000       1.009800      0.4718000    
 C   -3.434700      -1.097000     -0.4719000    
 C   8.0300003E-02  2.7799999E-02  6.9899999E-02
 C   -4.025600       1.495900      0.3707000    
 C   -4.738100     -0.6109000     -0.5729000    
 C    1.180100     -0.7544000      0.2072000    
 C   -6.427300       1.205300     -0.2596000    
 C    3.118800      0.8076000      3.7799999E-02
 C    5.341500       1.957100     -6.4499997E-02
 C    5.535400     -0.9715000      -1.017800    
 H   -1.964800       1.662300      0.8979000    
 H   -3.234800      -2.107700     -0.8188000    
 H   9.4099998E-02   1.097400     -9.0499997E-02
 H   -4.244000       2.507100      0.7038000    
 H   -5.514300      -1.250100     -0.9853000    
 H    3.162600      -1.245700      0.3365000    
 H   -6.573100       1.690400      -1.229800    
 H   -7.159500      0.3971000     -0.1577000    
 H   -6.640500       1.931900      0.5319000    
 H    4.736800       2.866600     -9.9600002E-02
 H    5.920900       1.880400     -0.9881000    
 H    6.024700       2.008100      0.7880000    
 H    5.964000      -1.964800     -0.8580000    
 H    6.270200     -0.3652000      -1.555400    
 H    4.627600      -1.082500      -1.619100    


%chk=000163652-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163652

0 1
S 0.743603 -2.697187 0.034889
O 5.181859 -0.487096 0.049365
O 2.354657 1.760697 0.015040
N 2.583749 -0.598492 0.007459
N -1.014669 -2.277076 0.009691
N 4.475399 0.789839 -0.154845
C -2.486723 -0.333866 -0.043995
C -1.122489 -0.919560 -0.018756
C -5.134003 0.774883 -0.090298
C -2.686990 1.071089 -0.076422
C -3.630973 -1.178299 -0.033557
C 0.100867 -0.146831 -0.019234
C -3.990192 1.611797 -0.097852
C -4.926463 -0.631024 -0.055414
C 1.232669 -0.948031 0.007887
C -6.536165 1.355600 -0.133560
C 3.067591 0.717725 -0.023128
C 5.219153 1.959529 0.334494
C 5.941415 -0.828574 -1.181108
H -1.829638 1.752060 -0.082172
H -3.480192 -2.261981 -0.005334
H 0.165297 0.938568 -0.031468
H -4.119885 2.700653 -0.119831
H -5.794839 -1.301543 -0.043908
H 3.307010 -1.320854 0.086508
H -6.986336 1.236093 -1.138227
H -7.205938 0.847865 0.584330
H -6.535864 2.433546 0.103863
H 4.548499 2.828781 0.250159
H 6.112543 2.130149 -0.289202
H 5.522660 1.829220 1.390603
H 6.403979 -1.802843 -0.955405
H 6.725419 -0.075183 -1.374367
H 5.264890 -0.904354 -2.050405


