%chk=000046194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046194

0 1
 O    2.506300      -1.942700      1.3000000E-02
 O   -2.466100      -1.891800     -4.1999999E-03
 N    2.448600     -0.5649000     -5.4000001E-03
 C    1.218400      0.1255000     -2.6000000E-03
 C   -1.197400      9.6699998E-02 -6.0000003E-04
 C   1.8800000E-02 -0.5863000     -3.1999999E-03
 C    1.201800       1.520200      6.9999998E-04
 C   -1.214100       1.491400      2.7000001E-03
 C  -1.4400000E-02   2.203200      3.3000000E-03
 C   -2.448700     -0.6448000     -8.9999998E-04
 C    3.727900      9.7099997E-02 -4.9999999E-03
 C   -3.781200      9.6400000E-02  2.2000000E-03
 H   2.9100001E-02  -1.673400     -6.2000002E-03
 H    2.112800       2.111100      1.7000000E-03
 H   -2.137300       2.062500      4.8000002E-03
 H  -2.7400000E-02   3.289300      6.0000001E-03
 H    4.547000     -0.6313000     -1.6100001E-02
 H    3.855400      0.7100000      0.8937000    
 H    3.848100      0.7269000     -0.8929000    
 H   -3.875800      0.7082000     -0.8987000    
 H   -3.873700      0.7044000      0.9058000    
 H   -4.596700     -0.6340000      1.7000000E-03
 H    2.555800      -2.130400      0.9661000    


%chk=000046194-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046194

0 1
O 2.421186 -1.916819 -0.068451
O -2.403515 -1.943298 0.060468
N 2.500777 -0.509918 0.394756
C 1.264897 0.176642 0.213722
C -1.194563 0.146995 0.068710
C 0.042306 -0.537632 0.152126
C 1.230779 1.603022 0.173248
C -1.220907 1.567691 0.043323
C -0.004271 2.279192 0.094315
C -2.452889 -0.678885 0.010098
C 3.750228 0.081422 -0.121698
C -3.796001 0.036275 -0.109528
H 0.031998 -1.629821 0.144824
H 2.155646 2.186026 0.207790
H -2.168239 2.111317 -0.019899
H -0.009253 3.374558 0.068393
H 4.572557 -0.619565 0.085525
H 3.957276 1.020815 0.418015
H 3.711732 0.285271 -1.211657
H -3.832753 0.663370 -1.019545
H -3.969865 0.700552 0.757538
H -4.598840 -0.714953 -0.154308
H 2.448914 -2.438958 0.778133


