%chk=000096283.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096283

0 1
 S   -2.419200      0.1386000      0.1105000    
 S    3.743400     -0.5656000     -0.2715000    
 O   -2.764000       1.411700     -0.8547000    
 O   -3.041100      -1.031700     -0.4904000    
 O   -2.717500      0.5168000       1.482400    
 N    1.513300      0.9004000     -0.1861000    
 N    1.247600      -1.491600     -6.3299999E-02
 N  -0.3742000       2.323100     -0.1222000    
 N  -0.9050000      -2.452400      0.1229000    
 C  -0.6857000     -5.9300002E-02  4.1000000E-03
 C   0.1718000       1.016600     -0.1010000    
 C  -8.5699998E-02  -1.302000      1.8100001E-02
 C    1.976800     -0.3638000     -0.1617000    
 C    4.339400      0.9591000      0.5129000    
 H   0.2884000       3.084300     -0.2118000    
 H   -1.218600       2.504500      0.4058000    
 H   -1.421000      -2.512100      0.9963000    
 H   -1.510900      -2.600500     -0.6793000    
 H   -2.546200       1.290700      -1.808900    
 H    3.922700       1.060600       1.518700    
 H    4.069100       1.832600     -8.6499996E-02
 H    5.429200      0.9176000      0.5902000    


%chk=000096283-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096283

0 1
S -2.490030 0.190784 0.144416
S 3.753306 -0.742459 0.463037
O -2.691737 1.504179 -1.227423
O -3.279903 -1.167527 -0.287273
O -2.966296 0.946626 1.492568
N 1.564570 0.870065 0.134974
N 1.238315 -1.545450 0.092705
N -0.215832 2.352942 -0.155920
N -0.860058 -2.528612 -0.138124
C -0.673557 -0.060905 -0.005625
C 0.211617 1.067292 -0.007115
C -0.121799 -1.389794 -0.024023
C 1.988318 -0.418854 0.210077
C 4.427201 1.011062 0.546653
H 0.487999 3.087364 -0.107549
H -1.166835 2.543228 -0.492681
H -0.356675 -3.413617 -0.101334
H -1.875999 -2.480777 -0.281691
H -3.655512 1.771504 -1.222252
H 3.975399 1.544752 1.393896
H 4.206802 1.538347 -0.391484
H 5.513306 0.897448 0.688669


