%chk=000049392.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049392

0 1
 S   0.2745000       1.958600       1.012100    
 S  -0.7947000       1.899200     -0.7471000    
 O  -0.7051000      -1.026700      -1.148400    
 O    4.160900      8.5000001E-02  -1.537300    
 N   -1.818500     -0.6384000     -0.6283000    
 N    3.352300     -6.3900001E-02 -0.5484000    
 C    1.525000      0.7307000      0.7219000    
 C   -2.027300      0.6639000     -0.3781000    
 C    2.411900      0.8668000     -0.3365000    
 C    1.634600     -0.3828000       1.549500    
 C   -3.231100       1.073800      0.1825000    
 C    2.621000      -1.333500       1.305800    
 C   -2.732900      -1.579700     -0.3576000    
 C   -4.198900      0.1173000      0.4745000    
 C    3.479900      -1.145500      0.2323000    
 C   -3.951500      -1.224800      0.2032000    
 H    2.416100       1.695700      -1.030300    
 H   0.9584000     -0.5266000       2.388400    
 H   -3.434800       2.118900      0.3980000    
 H    2.716400      -2.206300       1.942800    
 H   -2.462100      -2.597100     -0.5983000    
 H   -5.145800      0.4178000      0.9132000    
 H    4.270700      -1.833300     -2.7300000E-02
 H   -4.697600      -1.980100      0.4261000    


%chk=000049392-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049392

0 1
S 0.358135 1.589359 0.392825
S -0.978048 0.785673 -1.364039
O -1.192616 -1.657840 0.449310
O 5.436850 1.214230 -0.038215
N -2.335525 -1.001984 0.293582
N 4.288933 0.552108 0.098188
C 1.857425 0.548768 0.257030
C -2.416897 0.187376 -0.468790
C 3.072785 1.238858 0.100359
C 1.827005 -0.862465 0.376184
C -3.654567 0.860781 -0.572797
C 3.068066 -1.537853 0.342696
C -3.489155 -1.493102 0.905799
C -4.820694 0.356062 0.033392
C 4.275774 -0.838902 0.216919
C -4.717895 -0.842496 0.783207
H 3.157658 2.318384 -0.027569
H 0.872228 -1.383590 0.472401
H -3.670378 1.790605 -1.147473
H 3.108003 -2.627879 0.426062
H -3.328314 -2.411563 1.471822
H -5.773644 0.881632 -0.064892
H 5.264036 -1.299538 0.193159
H -5.587765 -1.277624 1.283538


