%chk=000036102.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036102

0 1
 S    1.754400      -2.475600      6.2100001E-02
 O    2.477900      -3.210700       1.081500    
 O    1.713900      -2.959600      -1.304300    
 O  -0.8315000      -1.643700      -1.443800    
 N   -2.109900      -1.622500      0.4822000    
 N   0.1601000      -2.178100      0.6023000    
 C   -3.357300      -1.240400     -0.1369000    
 C   -3.881400      8.6700000E-02  0.4336000    
 C   -2.900600       1.224400      0.2765000    
 C   -4.385000      -2.351900      5.1800001E-02
 C  -0.9386000      -1.794100     -0.2304000    
 C    2.403700     -0.8328000      3.1999999E-03
 C   -1.975300       1.466300       1.279100    
 C   -2.944700       2.005400     -0.8670000    
 C    3.020700     -0.3089000       1.126300    
 C    2.283500     -0.1001000      -1.164900    
 C   -1.069600       2.517300       1.134200    
 C   -2.039200       3.056500      -1.012100    
 C    3.420900       1.740100     -8.9400001E-02
 C    3.533300      0.9876000       1.079500    
 C    2.796100       1.196200      -1.211800    
 C   -1.101600       3.312300     -1.1400000E-02
 C    3.970200       3.125700     -0.1401000    
 H   -3.193600      -1.115000      -1.214300    
 H   -4.121600     -2.9600000E-02   1.499500    
 H   -4.829000      0.3541000     -5.2400000E-02
 H   -4.023700      -3.291900     -0.3798000    
 H   -5.331500      -2.097400     -0.4363000    
 H   -4.585600      -2.532800       1.113800    
 H   -2.094400      -1.774900       1.486100    
 H   -1.942100      0.8552000       2.176500    
 H   -3.669500       1.812100      -1.652600    
 H  -2.7500000E-02  -2.324900       1.602100    
 H    3.111300     -0.8772000       2.046800    
 H    1.796800     -0.5018000      -2.048000    
 H  -0.3385000       2.715700       1.912400    
 H   -2.063100       3.674800      -1.904700    
 H    4.018100       1.400000       1.960400    
 H    2.702700       1.772800      -2.128300    
 H  -0.3952000       4.129400     -0.1250000    
 H    3.373200       3.761800     -0.8025000    
 H    3.956700       3.593600      0.8501000    
 H    5.001800       3.107800     -0.5052000    


%chk=000036102-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036102

0 1
S 1.922512 -2.293397 0.583200
O 2.522523 -2.559238 2.073022
O 1.899112 -3.466920 -0.527158
O -0.411588 -1.197633 -1.161066
N -2.067519 -1.501352 0.467408
N 0.200443 -1.788078 1.017151
C -3.181622 -1.099918 -0.418961
C -4.125059 -0.099711 0.295422
C -3.474329 1.162073 0.857752
C -3.954977 -2.336399 -0.930425
C -0.753940 -1.487716 0.026997
C 2.728577 -0.750390 -0.131134
C -4.062469 1.805296 1.977764
C -2.319083 1.746647 0.276176
C 3.501854 0.023112 0.746826
C 2.576348 -0.475997 -1.499081
C -3.524673 3.002980 2.499549
C -1.777088 2.943641 0.796801
C 4.049567 1.479075 -1.167968
C 4.162225 1.150452 0.208243
C 3.250915 0.654224 -2.006679
C -2.376935 3.578959 1.908151
C 4.785516 2.674662 -1.744410
H -2.699630 -0.612866 -1.285198
H -4.664601 -0.628448 1.108834
H -4.905436 0.186150 -0.439684
H -3.270941 -3.024499 -1.455277
H -4.750832 -2.033283 -1.635586
H -4.429578 -2.885648 -0.095057
H -2.287815 -1.760206 1.430459
H -4.953307 1.364733 2.444408
H -1.826910 1.269848 -0.579239
H -0.019456 -2.042478 1.987253
H 3.595057 -0.257354 1.800785
H 1.943534 -1.107786 -2.127181
H -3.997291 3.482635 3.364338
H -0.881935 3.376216 0.335612
H 4.775879 1.776075 0.865992
H 3.151673 0.900371 -3.070048
H -1.953882 4.506435 2.310070
H 4.134087 3.265300 -2.413296
H 5.159849 3.344134 -0.951631
H 5.656526 2.348199 -2.344335


