%chk=000027667.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027667

0 1
 O   -2.332700      -2.404000      1.9999999E-04
 O    3.951200       1.091800      2.4999999E-03
 N   -2.597500       1.602300     -3.0000001E-04
 N    2.475300     -0.7466000     -6.0000003E-04
 N   -3.665700     -0.5371000      6.0000003E-04
 C   -1.192500     -0.3561000       0.000000    
 C   -1.317800       1.042600     -9.9999997E-05
 C    1.210900     -0.1558000     -6.9999998E-04
 C   6.8800002E-02 -0.9570000     -3.0000001E-04
 C  -0.1668000       1.834000     -5.0000002E-04
 C    1.094000       1.234800     -8.9999998E-04
 C   -2.438600      -1.181400      5.0000002E-04
 C   -3.670600      0.7577000      1.9999999E-04
 C    3.725300     -0.1139000     -5.0000002E-04
 C    4.856500      -1.111400     -3.0000001E-04
 H   0.1671000      -2.039600     -9.9999997E-05
 H  -0.2436000       2.918400     -7.9999998E-04
 H    1.933600       1.915800     -1.5000000E-03
 H   -2.698600       2.609700       0.000000    
 H    2.479300      -1.764500     -6.9999998E-04
 H   -4.630300       1.298600      3.9999999E-04
 H    4.811500      -1.720600      0.9068000    
 H    5.814700     -0.5852000     -2.8200001E-02
 H    4.781700      -1.757800     -0.8792000    


%chk=000027667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027667

0 1
O -2.340335 -2.477279 0.002950
O 3.974867 1.093131 -0.001253
N -2.646413 1.605765 0.000968
N 2.503350 -0.736326 -0.004032
N -3.699440 -0.560194 0.001242
C -1.210187 -0.341312 -0.002908
C -1.341517 1.078569 -0.000954
C 1.234738 -0.094565 -0.002948
C 0.081649 -0.909987 -0.003640
C -0.188426 1.901878 -0.000465
C 1.091133 1.327532 -0.001455
C -2.425961 -1.215968 -0.005324
C -3.744580 0.759837 0.002637
C 3.777861 -0.156694 -0.002908
C 4.916071 -1.175350 0.002401
H 0.142108 -2.005542 -0.005275
H -0.288681 2.993637 0.000980
H 1.987792 1.949631 -0.001151
H -2.783277 2.618258 0.002494
H 2.472602 -1.759004 -0.004909
H -4.722013 1.258883 0.005777
H 4.892047 -1.797776 0.915993
H 5.871646 -0.633610 -0.029070
H 4.860166 -1.848816 -0.872650


