%chk=000033169.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033169

0 1
 O  -0.2182000      0.4386000     -1.6300000E-02
 O    4.462000       1.288900      4.9500000E-02
 O   0.3939000      -3.583300      0.1126000    
 N    1.693200       2.907000       1.306500    
 C    1.054900     -6.2799998E-02  2.3499999E-02
 C    1.324800      -1.426600      6.8000004E-02
 C    2.103400      0.8577000      1.7000001E-02
 C   -1.172300      -1.792100      3.5000000E-02
 C   -1.280500     -0.4489000     -1.4700000E-02
 C   0.2004000      -2.374500      7.5900003E-02
 C    3.422800      0.4072000      5.5300001E-02
 C    2.645400      -1.882300      0.1058000    
 C    1.822100       2.325900     -2.9200001E-02
 C    3.693100     -0.9607000      9.9399999E-02
 C   -2.575700      0.2437000     -6.9100000E-02
 C   -2.300500      -2.782300      6.6600002E-02
 C   -3.219400      0.6153000       1.111300    
 C   -3.160600      0.5312000      -1.302300    
 C   -4.447600       1.274500       1.058500    
 C   -4.388700       1.190300      -1.355200    
 C   -5.032300       1.562000     -0.1748000    
 C    4.980000       1.670900      -1.222900    
 H    2.876500      -2.943200      0.1409000    
 H    2.599500       2.871500     -0.5722000    
 H   0.9058000       2.530600     -0.5954000    
 H    4.719600      -1.316700      0.1297000    
 H   -3.287800      -2.313000      4.5699999E-02
 H   -2.247600      -3.387700      0.9778000    
 H   -2.240100      -3.452000     -0.7979000    
 H   -2.775700      0.3989000       2.080100    
 H   -2.670800      0.2486000      -2.231100    
 H    2.549900       2.751100       1.836200    
 H   0.9458000       2.438700       1.817200    
 H   -4.948600       1.564100       1.977500    
 H   -4.844000       1.414400      -2.315400    
 H   -5.988500       2.075300     -0.2160000    
 H    4.183300       1.862000      -1.949100    
 H    5.639300      0.8837000      -1.601400    
 H    5.565400       2.585500      -1.094700    


%chk=000033169-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033169

0 1
O -0.407102 0.400360 -0.147035
O 4.176626 1.636874 -0.634384
O 0.491061 -3.630349 0.365333
N 1.967998 3.370831 0.541895
C 0.938316 -0.007899 -0.179258
C 1.275044 -1.374717 0.007796
C 1.896206 1.010228 -0.394177
C -1.179404 -1.893379 0.218649
C -1.439847 -0.540938 0.064720
C 0.218523 -2.389271 0.213752
C 3.256045 0.597144 -0.423938
C 2.644607 -1.732438 -0.031180
C 1.523478 2.487799 -0.559047
C 3.635498 -0.763278 -0.245229
C -2.751445 0.151158 0.060080
C -2.254148 -2.950126 0.350760
C -3.813360 -0.256656 0.913158
C -2.950954 1.273997 -0.791605
C -5.047300 0.427317 0.897752
C -4.186691 1.951842 -0.807933
C -5.242347 1.529570 0.034017
C 5.599139 1.291514 -0.736437
H 2.895007 -2.788730 0.108521
H 1.974266 2.867299 -1.493417
H 0.429909 2.577997 -0.656265
H 4.687118 -1.061001 -0.274520
H -3.195621 -2.657274 -0.141451
H -2.471474 -3.180748 1.411422
H -1.875745 -3.886449 -0.093164
H -3.664780 -1.086007 1.610061
H -2.133492 1.603614 -1.439834
H 2.989254 3.403896 0.628527
H 1.513302 3.167688 1.438153
H -5.852381 0.105436 1.567213
H -4.326781 2.808903 -1.475572
H -6.201980 2.057941 0.022602
H 5.781846 0.595184 -1.576457
H 5.973148 0.848073 0.205970
H 6.110657 2.246095 -0.927178


