%chk=000088445.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088445

0 1
 S   -1.620400     -0.8257000     -0.5968000    
 N   -3.828600     -0.5976000      0.8248000    
 N   -3.148700       1.341700     -0.3394000    
 C    2.287700      0.2750000      0.2235000    
 C    1.103800     -0.5260000     -0.3246000    
 C    3.620500     -0.3575000     -0.1762000    
 C  -0.2207000      0.1335000      4.9600001E-02
 C    4.798800      0.4543000      0.3379000    
 C   -2.992500      0.1023000      1.1000000E-03
 H    2.219800      0.3320000       1.316700    
 H    2.242000       1.302900     -0.1570000    
 H    1.144200      -1.546900      7.5599998E-02
 H    1.191300     -0.5979000      -1.416200    
 H    3.683100      -1.376800      0.2223000    
 H    3.685800     -0.4313000      -1.268000    
 H  -0.2597000       1.148500     -0.3588000    
 H  -0.3158000      0.2021000       1.138500    
 H    4.783600       1.469900     -7.0299998E-02
 H    4.781200      0.5224000       1.430300    
 H    5.741400     -1.6700000E-02  4.1999999E-02
 H   -4.651600     -0.1656000       1.230500    
 H   -3.649400      -1.568800       1.055500    
 H   -2.388100       1.614600     -0.9704000    


%chk=000088445-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088445

0 1
S -1.628081 -1.007509 -0.387729
N -4.202767 -0.706517 0.357252
N -3.073157 1.344748 0.459028
C 2.358452 0.334637 0.097486
C 1.144194 -0.575852 -0.205897
C 3.709876 -0.390088 -0.101928
C -0.190184 0.160353 0.004386
C 4.924474 0.510654 0.208524
C -3.064312 0.066617 0.211062
H 2.293581 0.704465 1.141908
H 2.325109 1.231250 -0.556027
H 1.180168 -1.469302 0.447905
H 1.208942 -0.940077 -1.250389
H 3.739028 -1.289409 0.546370
H 3.775849 -0.756723 -1.146428
H -0.262614 1.033801 -0.668601
H -0.304027 0.491895 1.051313
H 4.938141 1.400626 -0.448733
H 4.896761 0.867677 1.255373
H 5.876644 -0.031348 0.061980
H -5.068211 -0.230642 0.605643
H -4.162125 -1.721842 0.349787
H -2.208043 1.860986 0.238315


