%chk=000115260.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115260

0 1
 S    1.721000       2.341900      0.2774000    
 O   -1.398000     -0.4083000      -2.181000    
 O    2.026900      -1.363000      0.9953000    
 O   -4.518900      0.1776000       2.286700    
 O   -5.810200       1.338000      0.8282000    
 O    4.908100      0.7351000      0.7644000    
 O    6.485300     -0.8105000       1.285700    
 N  -8.8799998E-02 -0.2854000     -0.2662000    
 N    3.490300     -0.8663000     -0.7350000    
 N   -6.220300     -0.9858000     -0.5963000    
 C    1.187700     -0.1436000     -0.9277000    
 C   -3.797800     -0.6666000     -0.7553000    
 C   -2.467200     -0.5313000     -1.2000000E-02
 C   -4.989100     -0.8658000      0.1884000    
 C   -1.285000     -0.4069000     -0.9582000    
 C    1.533300       1.318700      -1.219500    
 C    2.253500     -0.8655000     -0.1058000    
 C   -5.172400      0.3299000       1.105300    
 C    4.664100      -1.466500     -0.1451000    
 C    2.025700       3.927000     -0.5335000    
 C    5.452000     -0.5027000      0.7042000    
 H    1.121300     -0.6724000      -1.887900    
 H   -3.947900      0.2308000      -1.371300    
 H   -3.737600      -1.514500      -1.450500    
 H   -2.470200      0.3614000      0.6233000    
 H   -2.304300      -1.406800      0.6275000    
 H   -4.873400      -1.770900      0.7943000    
 H  -0.1060000     -0.2715000      0.7499000    
 H    2.461500       1.391100      -1.794600    
 H   0.7359000       1.761800      -1.827100    
 H    3.588400     -0.4487000      -1.655200    
 H   -6.324000     -0.1744000      -1.205300    
 H   -6.148700      -1.790900      -1.217900    
 H    5.300200      -1.808100     -0.9665000    
 H    4.363300      -2.314400      0.4772000    
 H    1.170800       4.210000      -1.153100    
 H    2.926400       3.873100      -1.150400    
 H    2.172500       4.698300      0.2273000    
 H   -4.630000      0.9590000       2.869100    
 H    5.438000       1.342700       1.323100    


%chk=000115260-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115260

0 1
S 1.834545 2.549775 -0.384116
O -1.022511 -0.355527 -2.262511
O 2.049298 -0.893830 1.476119
O -4.690786 -1.145974 1.886777
O -5.561036 0.996189 1.685000
O 6.200835 -0.285405 -0.943284
O 7.253580 -0.801356 1.068539
N 0.098631 -0.390111 -0.232828
N 3.763436 -0.572478 -0.045586
N -6.011162 0.485309 -1.032440
C 1.429709 -0.297632 -0.836215
C -3.494210 0.194251 -0.785967
C -2.350440 -0.672824 -0.211868
C -4.935563 -0.250306 -0.356206
C -1.049033 -0.457905 -0.991681
C 1.691365 1.062204 -1.537177
C 2.437149 -0.608500 0.298326
C -5.117397 -0.040778 1.143481
C 4.798902 -0.804344 0.963040
C 0.023955 3.057906 -0.240043
C 6.205485 -0.643065 0.415937
H 1.520093 -1.077488 -1.624922
H -3.352518 1.259982 -0.518962
H -3.444763 0.124093 -1.889233
H -2.201150 -0.487867 0.867329
H -2.626590 -1.742343 -0.311388
H -5.029518 -1.333889 -0.559300
H 0.101961 -0.555269 0.782797
H 2.643078 1.035694 -2.097784
H 0.879278 1.246259 -2.258927
H 4.073061 -0.313847 -0.984707
H -6.246575 1.377859 -0.588043
H -5.918730 0.535234 -2.049286
H 4.711830 -1.819459 1.396114
H 4.676745 -0.108632 1.816005
H -0.531708 2.344901 0.385347
H -0.424964 3.121285 -1.244055
H 0.023007 4.054760 0.228114
H -4.803786 -0.953312 2.857927
H 7.132900 -0.177962 -1.272423


