%chk=000019414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019414

0 1
 O   -3.393900     -0.4204000     -6.3000000E-03
 O   -2.724000       1.781400      3.3199999E-02
 N  -0.7394000      -2.559000     -5.9900001E-02
 C    1.353700      0.5236000      1.4300000E-02
 C    2.005300      0.2960000       1.217000    
 C    2.024100      0.4239000      -1.195500    
 C  -7.4000001E-02  0.8774000      2.1900000E-02
 C    3.359400     -3.9299998E-02   1.209700    
 C    3.378000      8.8399999E-02  -1.202800    
 C    4.045600     -0.1433000     -3.0000001E-04
 C   -1.097700      3.5999999E-03 -9.9999998E-03
 C   -2.474200      0.5844000      9.1000004E-03
 C  -0.8985000      -1.409600     -3.7900001E-02
 C   -4.764500     -7.1999999E-03  7.4999998E-03
 H    1.482300      0.3742000       2.166500    
 H    1.515500      0.6025000      -2.139200    
 H  -0.2508000       1.950600      5.0099999E-02
 H    3.879300     -0.2196000       2.146000    
 H    3.912500      7.6000001E-03  -2.144900    
 H    5.099800     -0.4045000     -6.0000001E-03
 H   -4.980600      0.5570000      0.9196000    
 H   -5.389800     -0.9038000     -7.1000000E-03
 H   -4.988300      0.5916000     -0.8805000    


%chk=000019414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019414

0 1
O -3.520649 -0.237354 0.458068
O -2.712112 1.281968 -1.117844
N -1.057153 -1.896899 2.095373
C 1.376401 0.294199 -0.219637
C 1.956732 -0.621116 0.712397
C 2.251301 1.066680 -1.045965
C -0.056559 0.509808 -0.401292
C 3.355443 -0.749987 0.804652
C 3.649207 0.934013 -0.950341
C 4.207054 0.022833 -0.022321
C -1.157248 -0.059987 0.213896
C -2.506897 0.413594 -0.234544
C -1.102417 -1.060895 1.239185
C -4.904067 0.153117 0.094803
H 1.320610 -1.227989 1.361013
H 1.818174 1.772868 -1.764806
H -0.328286 1.258025 -1.161730
H 3.786046 -1.455210 1.523379
H 4.302005 1.534535 -1.592423
H 5.294465 -0.084607 0.056796
H -5.058389 1.227779 0.288589
H -5.544179 -0.464202 0.739320
H -5.089681 -0.055674 -0.972066


