%chk=000165598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165598

0 1
 S    2.812500       2.687200      0.2915000    
 O   0.4486000      -2.187200       1.079400    
 O    1.827400      -2.090300     -0.7102000    
 O   -2.475600      0.6783000      -1.264900    
 N   -1.003000     -0.1123000      0.3564000    
 C   0.1153000     -0.3904000     -0.5079000    
 C    1.017600      0.8394000     -0.6795000    
 C    1.781900       1.220800      0.5903000    
 C   0.8975000      -1.618000     -6.4999998E-02
 C   -2.208500      0.4006000     -9.8600000E-02
 C   -3.213700      0.5719000       1.008600    
 H  -0.3034000     -0.6475000      -1.489700    
 H   0.4067000       1.687500      -1.015900    
 H    1.739700      0.6291000      -1.480000    
 H    1.091600       1.448100       1.408300    
 H    2.439400      0.4089000      0.9147000    
 H  -0.8926000     -0.2965000       1.349600    
 H   -4.066400       1.152500      0.6459000    
 H   -3.561500     -0.4101000       1.340600    
 H   -2.761700       1.102900       1.851300    
 H    1.807300       3.529000      9.4999997E-03
 H   0.9630000      -2.988000       1.317000    


%chk=000165598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165598

0 1
S 2.738560 2.830485 0.223658
O 0.615086 -2.130278 1.226986
O 1.883037 -2.178986 -0.720534
O -2.215591 0.931957 -1.172738
N -1.006615 -0.235607 0.424270
C 0.105193 -0.488265 -0.502833
C 1.013230 0.766543 -0.739638
C 1.683762 1.285659 0.540471
C 0.956609 -1.671193 -0.059661
C -2.130764 0.456862 0.002589
C -3.243642 0.606405 1.033754
H -0.322672 -0.740150 -1.493861
H 0.360902 1.541846 -1.179576
H 1.780270 0.502780 -1.489443
H 0.942737 1.527149 1.319844
H 2.405165 0.559245 0.952775
H -0.967421 -0.672307 1.346950
H -3.441307 1.679232 1.201182
H -4.170305 0.164968 0.628382
H -3.013786 0.130053 2.002365
H 1.686023 3.641581 -0.171565
H 1.203628 -2.892079 1.478025


