%chk=000004084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004084

0 1
 S    2.374400     -0.1638000       2.177300    
 O    2.075000       2.491800      -1.315000    
 O    3.587800     -0.7521000      -2.285100    
 O    5.668900     -0.6799000      -1.357900    
 O   -1.911700       1.541500       1.729600    
 N    2.338900      0.3473000     -0.3649000    
 N  -0.6947000       1.108700     -0.1971000    
 N   -4.126800       2.016500      0.2118000    
 C    1.367400     -6.2199999E-02  0.6539000    
 C    3.874400     -0.6641000       1.194800    
 C    3.755900      0.1546000     -0.1101000    
 C   0.6363000       1.262600      0.3976000    
 C    1.746500       1.547900     -0.6324000    
 C    5.132600     -0.2917000       1.981700    
 C    3.815200      -2.184400      0.9868000    
 C    4.467500     -0.4657000      -1.294500    
 C   -1.874700       1.263900      0.5321000    
 C   -3.126900       1.072800     -0.3092000    
 C   -3.599200     -0.3620000     -0.2629000    
 C   -3.126400      -1.262000      -1.203600    
 C   -4.496100     -0.7489000      0.7191000    
 C   -3.562600      -2.586200      -1.161100    
 C   -4.932400      -2.073000      0.7617000    
 C   -4.923500       2.479800     -0.6742000    
 C   -4.465600      -2.991600     -0.1785000    
 H   0.8379000     -0.9799000      0.3793000    
 H    4.189100       1.156800      1.4900000E-02
 H   0.6457000       1.986400       1.220900    
 H    5.179500     -0.8203000       2.940900    
 H    6.036000     -0.5555000       1.420600    
 H    5.180200      0.7837000       2.188700    
 H    4.711100      -2.548200      0.4712000    
 H    3.765600      -2.718100       1.943600    
 H    2.949400      -2.488500      0.3881000    
 H  -0.7741000      0.8690000      -1.182600    
 H   -2.880500       1.338100      -1.347900    
 H    4.030000      -1.155100      -3.062500    
 H   -2.422900     -0.9573000      -1.972900    
 H   -4.863900     -5.7700001E-02   1.471400    
 H   -3.198900      -3.301700      -1.892800    
 H   -5.632900      -2.389900       1.528900    
 H   -5.706900       3.196900     -0.3829000    
 H   -4.888500       2.203900      -1.741800    
 H   -4.804600      -4.022900     -0.1447000    


%chk=000004084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004084

0 1
S 2.315327 -0.407791 2.186127
O 1.985238 2.808983 -1.005066
O 3.962206 -0.802608 -2.203427
O 5.961802 -0.098865 -1.253650
O -1.989125 1.251852 1.652566
N 2.456372 0.525169 -0.313096
N -0.755355 1.015618 -0.303342
N -4.218586 1.941857 -0.078392
C 1.432693 -0.150370 0.527364
C 3.978391 -0.681878 1.207193
C 3.875209 0.318964 -0.032799
C 0.520853 1.129071 0.366286
C 1.717079 1.726469 -0.455445
C 5.157986 -0.302208 2.118182
C 4.045691 -2.162273 0.772163
C 4.715591 -0.192545 -1.203610
C -1.954178 1.095377 0.403760
C -3.216693 0.922795 -0.486878
C -3.796808 -0.481379 -0.293568
C -3.773971 -1.414354 -1.357500
C -4.354466 -0.852271 0.955832
C -4.300048 -2.714260 -1.177107
C -4.879721 -2.150368 1.132862
C -4.635935 2.777067 -0.978066
C -4.853752 -3.084685 0.069691
H 1.029972 -1.096092 0.137130
H 4.332095 1.284099 0.259732
H 0.368932 1.644070 1.330560
H 5.228529 -0.994323 2.975482
H 6.103003 -0.364803 1.547153
H 5.051700 0.725040 2.507954
H 5.005700 -2.376382 0.263815
H 3.979594 -2.810954 1.661130
H 3.222274 -2.431054 0.088221
H -0.774626 0.906934 -1.319118
H -2.913183 1.035724 -1.557422
H 4.574297 -1.114841 -2.925201
H -3.356065 -1.125569 -2.330672
H -4.364446 -0.120655 1.769529
H -4.282569 -3.431069 -2.005757
H -5.310525 -2.434614 2.099385
H -5.386863 3.525635 -0.688892
H -4.288443 2.792062 -2.033939
H -5.263677 -4.091075 0.211127


