%chk=000074045.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074045

0 1
 S    1.612900       2.031100     -1.9999999E-04
 O  -0.8018000      0.5873000      -1.316200    
 O    1.424200       2.412200      -1.386700    
 O    2.219800       2.953500      0.9397000    
 N   -3.092700     -8.8299997E-02  7.8299999E-02
 N   -2.002400      0.5314000      0.6605000    
 N   0.1296000       1.467500      0.6358000    
 C   -5.748600      -1.295800      9.4400004E-02
 C   -5.497600      0.1058000     -0.4518000    
 C   -4.476700      -2.134100      2.1500001E-02
 C   -4.285500      0.7549000      0.2182000    
 C   -3.297000      -1.413000      0.6758000    
 C  -0.9069000      0.8280000     -0.1169000    
 C    2.566200      0.5429000     -3.8999999E-03
 C    2.544700     -0.2713000      -1.123200    
 C    3.317400      0.2189000       1.112700    
 C    4.060300      -1.787600     -9.3999999E-03
 C    3.297600      -1.445700      -1.125900    
 C    4.070300     -0.9553000       1.110000    
 C    4.866300      -3.042300     -1.2700000E-02
 H   -6.082300      -1.227600       1.137100    
 H   -6.552100      -1.781300     -0.4702000    
 H   -5.333000      5.1399998E-02  -1.535400    
 H   -6.385500      0.7284000     -0.2942000    
 H   -4.641000      -3.098700      0.5148000    
 H   -4.239800      -2.347700      -1.028500    
 H   -4.109700       1.728500     -0.2563000    
 H   -4.508700      0.9466000       1.276600    
 H   -3.468800      -1.333000       1.757800    
 H   -2.397900      -2.026300      0.5360000    
 H   -2.032900      0.7535000       1.650600    
 H  -5.3700000E-02   1.660100       1.628700    
 H    1.955400     -2.6400000E-02  -2.001200    
 H    3.332400      0.8508000       1.995300    
 H    3.282500      -2.085400      -2.004400    
 H    4.661100      -1.210800       1.985700    
 H    4.395800      -3.812700     -0.6332000    
 H    5.869700      -2.843100     -0.4016000    
 H    4.956900      -3.456400      0.9973000    


%chk=000074045-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074045

0 1
S 1.638975 1.982516 0.500228
O -0.560819 0.132380 -0.768787
O 1.422272 2.814962 -0.867394
O 2.216805 2.701253 1.842522
N -3.206118 -0.132233 0.304679
N -2.191937 0.685150 0.853607
N 0.018930 1.370508 1.131830
C -5.857736 -1.289082 -0.089771
C -5.249600 -0.283723 -1.094580
C -4.732836 -2.058769 0.639799
C -4.253949 0.663642 -0.393308
C -3.747140 -1.082041 1.312961
C -0.901848 0.685780 0.308633
C 2.650944 0.431188 0.159865
C 2.484611 -0.233964 -1.063911
C 3.566906 0.043427 1.150186
C 4.241254 -1.809302 -0.332667
C 3.296664 -1.364961 -1.296549
C 4.362265 -1.093575 0.888107
C 5.123889 -3.011396 -0.613641
H -6.475623 -0.743387 0.653539
H -6.530486 -1.994632 -0.611825
H -4.711843 -0.832630 -1.890465
H -6.041652 0.318869 -1.578036
H -5.151806 -2.737723 1.406586
H -4.174206 -2.676521 -0.088615
H -3.747063 1.313767 -1.125967
H -4.807881 1.317235 0.330249
H -4.274675 -0.535178 2.138983
H -2.895103 -1.627020 1.754284
H -2.423132 1.323208 1.630678
H -0.200068 1.782218 2.046500
H 1.736297 0.102489 -1.785551
H 3.660170 0.618093 2.077215
H 3.186740 -1.913750 -2.238553
H 5.087107 -1.425127 1.640313
H 4.621674 -3.736781 -1.276724
H 6.060749 -2.701036 -1.115774
H 5.407772 -3.533855 0.316258


