%chk=000092336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092336

0 1
 S   0.9530000       1.744600     -1.0000000E-03
 O   -1.955600      -1.874000     -9.9999997E-05
 O   -5.162400       1.414300      1.0000000E-03
 N   0.8233000     -0.8313000     -1.6000000E-03
 N   -1.267800      0.3612000     -1.3000000E-03
 N   -3.597900     -0.2543000      3.9999999E-04
 N   -3.946000       1.196700       0.000000    
 C    2.441600      0.8745000       0.000000    
 C    2.169600     -0.4969000     -6.0000003E-04
 C   9.8399997E-02  0.2629000     -1.8000000E-03
 C    3.755500       1.369900      1.1000000E-03
 C    3.252700      -1.402400     -9.9999997E-05
 C    4.809100      0.4524000      1.6000000E-03
 C    4.563300     -0.9162000      1.0000000E-03
 C   -2.250300     -0.6764000     -5.0000002E-04
 C   -4.686500      -1.224800      1.9000000E-03
 H    3.955000       2.437100      1.6000000E-03
 H    3.072100      -2.473600     -5.0000002E-04
 H   -1.598800       1.320800     -1.3000000E-03
 H    5.833700      0.8150000      2.4999999E-03
 H    5.395500      -1.614900      1.4000000E-03
 H   -4.309400      -2.250700      2.0999999E-03
 H   -5.297400      -1.077900     -0.8939000    
 H   -5.295800      -1.077000      0.8987000    


%chk=000092336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000092336

0 1
S 0.961419 1.928241 0.000760
O -1.954500 -1.951129 0.001980
O -5.052260 1.452822 -0.001055
N 0.807768 -0.785886 0.001064
N -1.337722 0.347951 0.001637
N -3.609562 -0.274489 0.000865
N -3.824297 1.105856 0.000106
C 2.486557 0.941562 0.000417
C 2.178390 -0.460424 0.000647
C 0.053575 0.281709 0.001196
C 3.814803 1.405018 -0.000021
C 3.230032 -1.405843 0.000431
C 4.852747 0.444116 -0.000236
C 4.561938 -0.945804 -0.000012
C -2.221285 -0.732903 0.002390
C -4.721890 -1.238385 0.000015
H 4.047978 2.473807 -0.000198
H 2.986106 -2.471901 0.000607
H -1.795475 1.270955 0.001335
H 5.894313 0.782303 -0.000581
H 5.383795 -1.669283 -0.000188
H -4.287248 -2.247429 0.000805
H -5.349221 -1.086230 -0.894839
H -5.351061 -1.085637 0.893475


