%chk=000037866.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037866

0 1
 O   0.4410000      0.7971000      0.3028000    
 O    1.623500       2.672500     -0.3555000    
 N   -4.366200      0.1748000      0.2592000    
 C    3.027900     -0.5626000     -0.1526000    
 C    3.877500      0.6178000     -0.5657000    
 C    2.798600      0.7876000      0.4716000    
 C    3.590500      -1.689700      0.6634000    
 C    5.281400      0.7311000     -0.1521000    
 C    1.570000       1.534900      8.9199997E-02
 C    4.824600      -2.322700      8.6199999E-02
 C    6.185500     -0.2508000     -6.6999998E-03
 C    5.952000      -1.661600     -0.2186000    
 C  -0.7851000       1.432700     -3.1500001E-02
 C   -3.283600       1.106300     -5.6800000E-02
 C   -1.932400      0.4769000      0.2668000    
 C   -5.672400      0.8180000      5.9000000E-02
 C   -4.245900      -1.046400     -0.5497000    
 C   -6.815600     -0.1271000      0.4319000    
 C   -5.342500      -2.052600     -0.1965000    
 C   -6.728800      -1.436200     -0.3445000    
 H    2.324400     -0.9246000     -0.8958000    
 H    3.690400       1.018300      -1.557500    
 H    3.109800      0.9357000       1.500700    
 H    2.816400      -2.462600      0.7491000    
 H    3.800600      -1.372600       1.692800    
 H    5.625900       1.746200      3.6800001E-02
 H    4.792400      -3.395800     -8.5600004E-02
 H    7.202900      1.4700000E-02  0.2704000    
 H    6.798000      -2.222800     -0.6072000    
 H  -0.7818000       1.696000      -1.095900    
 H  -0.8945000       2.347000      0.5637000    
 H   -3.316200       1.410000      -1.111300    
 H   -3.394900       2.016000      0.5468000    
 H   -5.791100       1.145700     -0.9823000    
 H   -5.748600       1.710400      0.6921000    
 H   -3.310400      -1.578000     -0.3597000    
 H   -4.286600     -0.8151000      -1.622100    
 H   -1.729600     -0.4218000     -0.3235000    
 H   -1.888800      0.1702000       1.319800    
 H   -7.777500      0.3583000      0.2316000    
 H   -6.781700     -0.3377000       1.508500    
 H   -5.205800      -2.399600      0.8358000    
 H   -5.260300      -2.933600     -0.8432000    
 H   -7.492300      -2.136500      1.1600000E-02
 H   -6.934000      -1.247000      -1.405400    


%chk=000037866-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037866

0 1
O 0.334671 0.142692 -0.146560
O 1.649737 1.527260 -1.495838
N -4.612229 0.225617 0.110747
C 3.950427 -0.408372 -0.909297
C 4.029576 0.663545 0.158418
C 2.692599 -0.128293 -0.034737
C 4.684324 -1.737454 -0.706301
C 4.859761 0.536907 1.391348
C 1.560043 0.605649 -0.642970
C 6.187654 -1.584764 -0.553164
C 6.081288 -0.081795 1.485175
C 6.777034 -0.861661 0.449545
C -0.881079 0.813614 -0.694635
C -3.409019 0.728976 -0.596071
C -2.090827 0.142292 -0.043479
C -5.806459 1.059936 -0.188849
C -4.882878 -1.209984 -0.163141
C -7.021744 0.619990 0.652080
C -6.072261 -1.724376 0.673731
C -7.336472 -0.874466 0.415482
H 3.882465 -0.045963 -1.940704
H 3.934100 1.694246 -0.213554
H 2.431816 -0.878480 0.715606
H 4.446359 -2.421088 -1.540672
H 4.292705 -2.213601 0.217076
H 4.500715 1.103659 2.263414
H 6.831531 -2.133448 -1.253863
H 6.628618 0.039033 2.432068
H 7.873408 -0.889176 0.530011
H -0.878683 0.701622 -1.795450
H -0.822166 1.893146 -0.460764
H -3.467614 0.536467 -1.701323
H -3.388185 1.829587 -0.467052
H -6.077074 1.002387 -1.278205
H -5.555055 2.114628 0.031740
H -3.979853 -1.797385 0.079304
H -5.102824 -1.370955 -1.253999
H -2.031467 -0.945444 -0.230439
H -2.063739 0.292017 1.050782
H -7.894421 1.250752 0.394517
H -6.791048 0.784499 1.722384
H -5.801669 -1.668762 1.745897
H -6.258561 -2.787962 0.428913
H -8.167668 -1.205341 1.066567
H -7.669132 -1.018950 -0.633638


