%chk=000091777.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091777

0 1
 S    3.692400      0.9410000      -1.058200    
 S    3.146800     -0.9866000       1.208100    
 O    2.505800       1.016000      -1.889400    
 O    3.929600       1.941500     -3.5500001E-02
 O    3.133600      0.2258000       2.005100    
 O    3.775700      -2.188800       1.724500    
 O   0.6288000      0.7653000      0.9246000    
 O   -5.241200      -1.454800     -0.7565000    
 O   -3.402900       2.777500      0.3296000    
 N    3.818100     -0.6452000     -0.3649000    
 N    1.530300      -1.372000      0.7828000    
 N  -0.7310000      -1.037900      0.3303000    
 N   -2.993700      -1.263900     -0.2176000    
 N   -2.059200      0.8876000      0.3347000    
 C    3.760200      -1.778400      -1.334900    
 C    5.107200      0.9382000      -2.137400    
 C   0.4552000     -0.4256000      0.6962000    
 C   -1.997500     -0.4385000      0.1385000    
 C   -4.187300     -0.6594000     -0.3920000    
 C   -3.281400       1.425900      0.1433000    
 C   -4.392500      0.6947000     -0.2242000    
 C   -4.971600      -2.842800     -0.9151000    
 C   -2.225200       3.480500      0.7078000    
 H    2.911700      -1.664900      -2.014700    
 H    3.654600      -2.737700     -0.8201000    
 H    4.694000      -1.828900      -1.900500    
 H    5.209300       1.943300      -2.553500    
 H    5.997200      0.6915000      -1.555700    
 H    4.950500      0.2266000      -2.948900    
 H    1.340200      -2.342800      0.5042000    
 H  -0.7102000      -2.042000      0.1751000    
 H   -5.362000       1.153700     -0.3711000    
 H   -4.633000      -3.287200      2.6799999E-02
 H   -5.904500      -3.336000      -1.204200    
 H   -4.239500      -3.012100      -1.711700    
 H   -2.484200       4.538000      0.8162000    
 H   -1.848200       3.124600       1.672600    
 H   -1.453900       3.399400     -6.5499999E-02


%chk=000091777-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091777

0 1
S 4.050893 1.375319 0.127759
S 3.213783 -1.826405 -0.158846
O 4.445505 2.443888 -1.035815
O 2.887562 1.723121 1.195617
O 3.549681 -1.603574 1.405075
O 3.717110 -3.160542 -0.921126
O 0.823861 0.312758 -0.501234
O -5.392677 -1.245743 0.961810
O -3.424415 2.252251 -1.625148
N 3.947145 -0.342829 -1.033174
N 1.388401 -1.959353 -0.435569
N -0.806291 -1.349915 0.002907
N -3.073723 -1.297392 0.487051
N -2.083517 0.470681 -0.860080
C 3.357764 -0.067200 -2.365138
C 5.613952 0.826543 1.066660
C 0.480102 -0.878480 -0.321907
C -2.032396 -0.668869 -0.137794
C -4.285169 -0.679521 0.368680
C -3.308908 1.069396 -0.934900
C -4.469653 0.532739 -0.334235
C -5.192037 -2.502626 1.715593
C -2.179749 2.812032 -2.211343
H 2.257256 0.034161 -2.358472
H 3.685671 -0.868204 -3.052539
H 3.804202 0.889881 -2.695554
H 5.914074 1.696810 1.667088
H 5.292865 -0.035154 1.668420
H 6.344575 0.559197 0.293023
H 1.112195 -2.925349 -0.648801
H -0.894565 -2.241080 0.498098
H -5.440778 1.020047 -0.404987
H -4.474935 -2.350641 2.539628
H -6.191943 -2.747475 2.101061
H -4.818057 -3.298795 1.050063
H -2.483620 3.797817 -2.590957
H -1.392831 2.893923 -1.444539
H -1.819133 2.164184 -3.027580


