%chk=000091905.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091905

0 1
 S  -9.7400002E-02 -0.1871000     -0.2145000    
 O    5.125000     -0.9728000      9.8999999E-03
 O    1.215900       1.992400      0.3631000    
 N    2.575500      0.2150000     -0.2578000    
 C    2.808700      -1.172300     -0.6896000    
 C    3.790300       1.032600     -0.2299000    
 C    3.954600      -1.787900      0.1049000    
 C    4.889000      0.3281000      0.5533000    
 C    1.339800      0.8236000      3.8000001E-03
 C   -1.406500      0.9785000      0.2209000    
 C   -2.773600      0.3606000      0.1177000    
 C   -3.325200     -0.2716000       1.224400    
 C   -3.467900      0.4296000      -1.083100    
 C   -4.593300     -0.8448000       1.128600    
 C   -4.736000     -0.1433000      -1.178900    
 C   -5.298700     -0.7806000     -7.2999999E-02
 H    3.071100      -1.122700      -1.753100    
 H    1.922500      -1.799700     -0.5895000    
 H    3.595900       2.021600      0.1952000    
 H    4.097400       1.167700      -1.273800    
 H    3.685600      -1.911500       1.160700    
 H    4.200300      -2.776200     -0.2957000    
 H    5.822500      0.8953000      0.4850000    
 H    4.628500      0.2357000       1.614400    
 H   -1.348600       1.854400     -0.4362000    
 H   -1.244700       1.344200       1.241900    
 H   -2.784600     -0.3285000       2.165100    
 H   -3.039100      0.9226000      -1.951200    
 H   -5.031300      -1.341400       1.989400    
 H   -5.285300     -9.3800001E-02  -2.114600    
 H   -6.286000      -1.227000     -0.1477000    


%chk=000091905-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091905

0 1
S 0.081562 -0.754992 1.385325
O 5.017427 -0.609725 -0.488074
O 0.636104 1.609707 0.062314
N 2.199336 -0.091933 -0.256770
C 2.721551 -1.458705 -0.044549
C 3.040207 0.741618 -1.151915
C 4.182546 -1.380814 0.447346
C 4.489135 0.759665 -0.629594
C 1.041415 0.432826 0.276132
C -1.418385 0.389692 1.730925
C -2.573723 0.167002 0.786504
C -3.619202 -0.735574 1.112658
C -2.635069 0.874333 -0.443610
C -4.702543 -0.932581 0.227424
C -3.717492 0.677341 -1.328639
C -4.754433 -0.226703 -0.997111
H 2.683826 -2.010718 -1.004698
H 2.101388 -1.999220 0.689304
H 2.611499 1.756384 -1.184585
H 3.016841 0.307071 -2.170958
H 4.214271 -0.915124 1.455908
H 4.635681 -2.384637 0.488664
H 5.159707 1.260896 -1.346307
H 4.532125 1.283488 0.349332
H -1.000824 1.406170 1.644776
H -1.673028 0.167525 2.779305
H -3.583071 -1.284889 2.061865
H -1.826809 1.570086 -0.695943
H -5.504912 -1.630640 0.492216
H -3.755501 1.230747 -2.273885
H -5.595230 -0.377598 -1.683659


