%chk=000029216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029216

0 1
 S   0.6060000      -1.920000      4.1000000E-03
 O   -4.078500     -0.2441000     -7.0000002E-03
 N   -1.827000     -0.9577000     -1.1000000E-03
 N   1.5900001E-02  0.5908000     -2.6000000E-03
 N   -2.448500       1.373300      2.4000001E-03
 C    1.914200     -0.7968000      1.9000000E-03
 C    1.400400      0.5035000     -1.6000000E-03
 C  -0.5007000     -0.6158000      9.9999997E-05
 C    3.295700      -1.048300      3.0000000E-03
 C    2.303400       1.588700     -3.8000001E-03
 C   -2.278600      -2.393300      2.4000001E-03
 C   -2.878700      4.4599999E-02 -5.7000001E-03
 C    4.167500      4.3499999E-02  6.9999998E-04
 C    3.679900       1.345700     -2.7000001E-03
 C   -3.370900       2.485900      9.8999999E-03
 H    3.683600      -2.062400      5.7000001E-03
 H    1.933200       2.610100     -6.5000001E-03
 H   -1.914800      -2.885600      0.9094000    
 H   -1.913100      -2.890600     -0.9011000    
 H   -3.369600      -2.459900      1.6000000E-03
 H    5.240600     -0.1291000      1.5000000E-03
 H    4.373100       2.182400     -4.4999998E-03
 H   -1.463500       1.599400      5.0700001E-02
 H   -3.816500       2.563400       1.004800    
 H   -4.157500       2.319500     -0.7307000    
 H   -2.820200       3.399300     -0.2253000    


%chk=000029216-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029216

0 1
S 0.685255 -2.095352 -0.003401
O -4.136446 -0.260957 0.011407
N -1.872669 -0.938461 0.000291
N 0.048670 0.531007 0.001987
N -2.471682 1.380413 0.002649
C 2.010060 -0.848649 -0.000549
C 1.452613 0.470571 0.002162
C -0.517920 -0.672034 -0.000514
C 3.398869 -1.068780 -0.000747
C 2.319154 1.589110 0.004828
C -2.333939 -2.343556 -0.002205
C -2.919933 0.090541 0.006206
C 4.250566 0.061011 0.001925
C 3.712576 1.374836 0.004687
C -3.427896 2.491527 0.016187
H 3.816825 -2.079996 -0.002787
H 1.896139 2.598009 0.007053
H -1.975176 -2.874121 0.898200
H -1.979826 -2.869262 -0.907254
H -3.433626 -2.317935 0.000721
H 5.335853 -0.084350 0.001902
H 4.390386 2.235158 0.006777
H -1.441265 1.528317 0.006572
H -3.877148 2.632458 1.017511
H -4.250370 2.300239 -0.693979
H -2.903669 3.416755 -0.274030


