%chk=000096517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096517

0 1
 S   -2.950600      3.7900001E-02 -7.1400002E-02
 S    3.206100     -0.1086000     -3.2200001E-02
 O   -3.373600       1.302700     -0.6545000    
 O   -3.437100      -1.215800     -0.6282000    
 O    3.644500      -1.240200      0.7839000    
 O    3.708300      1.1200000E-02  -1.401400    
 N   0.9086000       1.151100     -5.6100000E-02
 N   0.8512000      -1.257800     -3.3799998E-02
 N   -3.285600      6.2300000E-02   1.603500    
 N   -1.099300       2.399900     -8.1799999E-02
 N   -1.213600      -2.409600     -3.6300000E-02
 C   -1.203000     -3.7000000E-03 -5.8899999E-02
 C    1.481100     -6.7699999E-02 -4.0700000E-02
 C  -0.4406000       1.146300     -6.4900003E-02
 C  -0.4962000      -1.188800     -4.3299999E-02
 C    3.699600       1.380900      0.8161000    
 H    3.253800       1.385600       1.812600    
 H    4.788900       1.374400      0.8983000    
 H    3.380300       2.249800      0.2379000    
 H   -3.647200      0.9360000       2.004900    
 H   -3.688100     -0.7854000       2.021700    
 H  -0.5013000       3.217500     -0.1012000    
 H   -1.981800       2.487900      0.4064000    
 H   -1.782300      -2.548200      0.7943000    
 H   -1.745700      -2.579100     -0.8853000    


%chk=000096517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096517

0 1
S -3.107552 0.101900 0.055919
S 3.369823 -0.098106 -0.036973
O -3.639561 1.558629 -0.478388
O -3.754515 -1.282842 -0.531584
O 3.860897 -1.470568 0.687495
O 3.869656 0.291974 -1.541794
N 0.889928 1.182261 -0.187787
N 0.799529 -1.237667 0.021821
N -3.395387 -0.061097 1.851542
N -1.035116 2.499244 -0.392518
N -1.217598 -2.417047 -0.004327
C -1.254007 0.052552 -0.088341
C 1.391803 -0.049931 -0.045396
C -0.496106 1.260986 -0.226980
C -0.588021 -1.215232 -0.021643
C 3.781578 1.378589 1.111193
H 3.438935 1.102021 2.117596
H 4.874699 1.475320 1.053629
H 3.253140 2.248031 0.700087
H -3.396308 0.863792 2.310076
H -4.265826 -0.599940 1.992093
H -0.390264 3.280164 -0.505999
H -2.049880 2.599402 -0.538862
H -0.632211 -3.249747 0.059698
H -2.231236 -2.474088 -0.170957


