%chk=000028641.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028641

0 1
 S    1.464800     -0.7254000      0.2222000    
 O   0.6278000       1.660500     -0.4953000    
 N    5.445300      3.8999999E-03  4.3099999E-02
 C    3.010800      0.1660000     -5.3900000E-02
 C   -1.149800      0.1788000     -6.7000002E-02
 C    4.202100     -0.7271000      0.2695000    
 C   0.2601000      0.5208000     -0.1712000    
 C   -2.080700       1.154600      0.2894000    
 C   -1.570900      -1.125500     -0.3254000    
 C   -3.432700      0.8259000      0.3873000    
 C   -2.923000      -1.454100     -0.2275000    
 C   -3.853900     -0.4785000      0.1288000    
 H    3.050400      0.4909000      -1.099600    
 H    3.026600       1.058700      0.5814000    
 H    4.172200      -1.048400       1.316700    
 H    4.198900      -1.624200     -0.3602000    
 H   -1.770700       2.175300      0.4980000    
 H  -0.8860000      -1.910200     -0.6326000    
 H   -4.157600       1.585400      0.6653000    
 H   -3.252400      -2.468100     -0.4348000    
 H   -4.906900     -0.7340000      0.2037000    
 H    5.506600      0.2823000     -0.9354000    
 H    6.236700     -0.6153000      0.2139000    


%chk=000028641-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028641

0 1
S 1.462359 -1.034257 1.078695
O 1.002093 1.382264 -0.125836
N 5.146987 0.180876 -0.433435
C 3.166572 -0.221270 0.955875
C -0.998515 0.031521 0.111083
C 3.844227 -0.503526 -0.400368
C 0.461698 0.314265 0.258438
C -1.810883 1.051113 -0.457623
C -1.593727 -1.194967 0.508459
C -3.195194 0.846522 -0.622882
C -2.979618 -1.395877 0.341587
C -3.783472 -0.377433 -0.223541
H 3.002913 0.860982 1.093026
H 3.760990 -0.622455 1.791335
H 4.015390 -1.590297 -0.504266
H 3.151599 -0.199735 -1.215999
H -1.335193 1.989992 -0.759216
H -0.978400 -1.989916 0.943650
H -3.815561 1.636090 -1.060518
H -3.433404 -2.343821 0.649736
H -4.859884 -0.537037 -0.351936
H 5.104318 1.190325 -0.589667
H 5.882404 -0.281059 -0.970201


