%chk=000029763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029763

0 1
 O   -6.478800      0.8938000     -0.3904000    
 N    1.393700     -0.8320000     -0.3319000    
 N    5.518400      0.5282000     -7.1500003E-02
 C   -1.313800      0.2962000      0.1796000    
 C   -2.232000       1.511100     -0.1046000    
 C   -2.064300     -0.6789000       1.124300    
 C  -2.0600000E-02  0.8063000      0.8631000    
 C  -0.9008000     -0.3863000      -1.149100    
 C   -4.325000      0.1552000      0.3327000    
 C   -3.616200       1.120700     -0.6227000    
 C   -3.454500      -1.072200      0.6213000    
 C    1.062500     -0.2694000      0.9820000    
 C   0.2141000      -1.422900     -0.9738000    
 C   -5.681200     -0.2645000     -0.2312000    
 C    2.463600      -1.821800     -0.2120000    
 C    3.749900      -1.169000      0.2930000    
 C    4.266800     -2.0500001E-02 -0.5788000    
 C    5.347500       1.120700       1.282000    
 C    6.070700       1.505400      -1.012000    
 H   -1.757300       2.185100     -0.8288000    
 H   -2.359300       2.094100      0.8177000    
 H   -2.180700     -0.2056000       2.108900    
 H   -1.485800      -1.592300       1.297500    
 H  -0.2482000       1.200300       1.861700    
 H   0.3881000       1.649000      0.2877000    
 H  -0.5485000      0.3800000      -1.853800    
 H   -1.755800     -0.8689000      -1.634100    
 H   -4.494300      0.6914000       1.277000    
 H   -4.208600       2.035300     -0.7462000    
 H   -3.527700      0.6724000      -1.619500    
 H   -3.364600      -1.694000     -0.2772000    
 H   -3.942000      -1.697000       1.379900    
 H   0.7472000      -1.052100       1.683000    
 H    1.921700      0.2375000       1.431400    
 H   0.4864000      -1.791200      -1.970800    
 H  -0.1550000      -2.286500     -0.4070000    
 H   -6.198900     -0.9548000      0.4427000    
 H   -5.578400     -0.7508000      -1.206800    
 H    2.178100      -2.644800      0.4557000    
 H    2.671200      -2.263200      -1.195200    
 H    4.521400      -1.952000      0.3124000    
 H    3.626700     -0.8773000       1.339000    
 H   -6.603600       1.290800      0.4885000    
 H    3.511800      0.7716000     -0.6592000    
 H    4.423200     -0.4148000      -1.591400    
 H    6.270600       1.627200       1.586500    
 H    5.169400      0.3511000       2.037800    
 H    4.532500       1.852300       1.304200    
 H    5.406200       2.366500      -1.145600    
 H    6.245700       1.045700      -1.991000    
 H    7.041900       1.870200     -0.6597000    


%chk=000029763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029763

0 1
O -6.748903 0.800469 -0.525458
N 1.372759 -0.775104 -0.184323
N 5.677200 0.497447 -0.203604
C -1.404579 0.314418 0.219748
C -2.343052 1.518761 -0.092052
C -2.183695 -0.691222 1.124373
C -0.140698 0.842463 0.959284
C -0.912824 -0.347197 -1.103910
C -4.452059 0.114607 0.242904
C -3.706564 1.100318 -0.687701
C -3.557215 -1.112901 0.548719
C 0.967679 -0.216472 1.128483
C 0.212888 -1.377221 -0.886750
C -5.810195 -0.321767 -0.339405
C 2.504384 -1.732315 -0.092039
C 3.825803 -1.106904 0.402834
C 4.261004 0.110746 -0.436269
C 5.934811 0.955660 1.176822
C 6.134011 1.493163 -1.195083
H -1.826105 2.215057 -0.782997
H -2.519611 2.081495 0.850046
H -2.348192 -0.207730 2.110970
H -1.574596 -1.594313 1.318012
H -0.426776 1.233179 1.957117
H 0.280249 1.689050 0.380303
H -0.525035 0.450967 -1.767856
H -1.746405 -0.838708 -1.639578
H -4.644827 0.636470 1.209802
H -4.337326 1.990530 -0.870710
H -3.556530 0.616559 -1.674906
H -3.416988 -1.701326 -0.381646
H -4.066087 -1.784986 1.269335
H 0.625674 -1.027207 1.825335
H 1.847469 0.257732 1.600053
H 0.561554 -1.751079 -1.868604
H -0.184022 -2.266008 -0.326111
H -6.267154 -1.107554 0.302294
H -5.680617 -0.734338 -1.355768
H 2.247932 -2.603619 0.569095
H 2.665575 -2.142091 -1.109275
H 4.618876 -1.876801 0.334027
H 3.740056 -0.836840 1.472606
H -6.921398 1.212802 0.358965
H 3.560617 0.964696 -0.250396
H 4.158177 -0.148782 -1.507893
H 7.002847 1.217964 1.283557
H 5.714596 0.149634 1.897076
H 5.327746 1.854489 1.463503
H 5.585137 2.468748 -1.133350
H 5.997787 1.091468 -2.215222
H 7.210020 1.698896 -1.049059


