%chk=000015489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015489

0 1
 O   -1.449500       2.095900       1.189700    
 N    2.387200      0.3425000      0.2103000    
 N   -1.301400     -0.1531000      0.6191000    
 C    3.342300      0.9464000     -0.7442000    
 C    4.665200      0.1799000     -0.4961000    
 C    4.375300     -0.7258000      0.6983000    
 C    2.885200     -0.9875000      0.5579000    
 C   0.9862000      0.3287000     -0.1757000    
 C    2.956300      0.8406000      -2.229800    
 C    3.510600       2.427100     -0.3707000    
 C    5.210000      -1.995000      0.7137000    
 C   0.1241000     -0.1587000      0.9793000    
 C   -2.006700       1.029500      0.8975000    
 C   -1.818100      -1.307900      4.4999998E-03
 C   -3.533200      0.9995000      0.9266000    
 C   -2.916200      -1.364300     -0.7768000    
 C   -4.084500      0.7614000     -0.4390000    
 C   -1.049000      -2.599600      0.2006000    
 C   -3.786100     -0.2919000      -1.211700    
 C   -4.099200      9.6600004E-02   2.019900    
 C   -4.398400     -0.4642000      -2.573400    
 H    5.512300      0.8411000     -0.2816000    
 H    4.936500     -0.4286000      -1.368200    
 H    4.565200     -0.1664000       1.625100    
 H    2.680000      -1.721000     -0.2323000    
 H    2.494300      -1.363000       1.508000    
 H   0.8192000     -0.3060000      -1.054800    
 H   0.6674000       1.341500     -0.4504000    
 H    2.051300       1.413500      -2.459600    
 H    3.757700       1.233100      -2.866700    
 H    2.783400     -0.2003000      -2.525700    
 H    2.575600       2.983400     -0.5029000    
 H    3.823300       2.544500      0.6738000    
 H    4.272500       2.905300     -0.9969000    
 H    6.276300      -1.754500      0.7757000    
 H    4.950800      -2.616300       1.577200    
 H    5.050400      -2.592200     -0.1904000    
 H   0.2618000      0.5250000       1.828900    
 H   0.4129000      -1.133300       1.373500    
 H   -3.834100       2.023000       1.196700    
 H   -3.191100      -2.330700      -1.200600    
 H   -4.776000       1.513200     -0.8139000    
 H  -6.3800000E-02  -2.556100     -0.2743000    
 H   -1.566000      -3.459900     -0.2410000    
 H  -0.9393000      -2.827600       1.266500    
 H   -5.185900      0.2149000       2.094200    
 H   -3.894600     -0.9644000       1.852000    
 H   -3.665200      0.3572000       2.991600    
 H   -5.011000      -1.371600      -2.611400    
 H   -3.617200     -0.5396000      -3.337800    
 H   -5.042600      0.3792000      -2.845200    


%chk=000015489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015489

0 1
O -1.291686 2.187568 0.989749
N 2.393280 0.060246 0.107243
N -1.352546 -0.131799 0.757783
C 3.330963 1.021817 -0.582027
C 4.736644 0.361260 -0.342151
C 4.496008 -0.951207 0.463938
C 3.020594 -1.274134 0.137366
C 0.960277 0.120356 -0.201803
C 3.057067 1.133166 -2.112664
C 3.213022 2.414459 0.077907
C 5.484901 -2.081576 0.127478
C 0.109288 -0.105150 1.073833
C -1.984842 1.138315 0.813887
C -1.933357 -1.356171 0.314170
C -3.515805 1.213019 0.703618
C -2.980154 -1.464733 -0.580759
C -3.938103 0.828799 -0.705979
C -1.300616 -2.631185 0.857139
C -3.731244 -0.409130 -1.260169
C -4.257326 0.437043 1.827207
C -4.306843 -0.764974 -2.623917
H 5.416482 1.048980 0.191137
H 5.210240 0.117639 -1.312698
H 4.553335 -0.721723 1.545449
H 2.948870 -1.814979 -0.844553
H 2.550775 -1.920040 0.903802
H 0.660496 -0.623954 -0.980884
H 0.704785 1.120897 -0.591116
H 2.078857 1.604565 -2.320970
H 3.834927 1.752741 -2.596443
H 3.070552 0.136055 -2.592277
H 2.177839 2.799519 0.016499
H 3.485129 2.351122 1.146007
H 3.878733 3.145673 -0.418178
H 6.524161 -1.784742 0.361429
H 5.261973 -3.000610 0.701881
H 5.441834 -2.334872 -0.949359
H 0.293207 0.730184 1.765834
H 0.395408 -1.043366 1.572756
H -3.727162 2.287326 0.843041
H -3.247775 -2.492997 -0.858921
H -4.454949 1.598226 -1.294237
H -0.285404 -2.809002 0.454368
H -1.921500 -3.497327 0.577759
H -1.224357 -2.608112 1.960633
H -5.340772 0.641242 1.759192
H -4.111795 -0.652261 1.747497
H -3.904975 0.769327 2.820900
H -4.968331 -1.650771 -2.552507
H -3.506980 -1.017758 -3.345644
H -4.898924 0.066526 -3.042746


