%chk=000018264.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018264

0 1
 O   0.8622000     -0.5955000      -1.605600    
 O   -1.298900     -0.2404000     -7.7200003E-02
 O  -7.1599998E-02  -1.616500       1.296900    
 N   -4.942400     -0.5366000      0.3947000    
 C    1.083900     -0.1237000     -0.2609000    
 C    1.029500       1.405400     -0.2368000    
 C    2.430000     -0.6302000      0.2628000    
 C  -0.1293000     -0.7687000      0.4142000    
 C   -3.681400     -4.4500001E-02 -0.1590000    
 C   -2.499200     -0.7354000      0.5018000    
 C   0.5555000       2.069000      0.8951000    
 C    3.492200     -0.8280000     -0.6196000    
 C    1.453600       2.136100      -1.346800    
 C    2.594500     -0.8948000       1.622500    
 C   0.8543000      -2.008500      -1.645600    
 C   -6.030400     -0.3461000     -0.5637000    
 C   0.5056000       3.462800      0.9167000    
 C    4.718700      -1.290000     -0.1421000    
 C    1.403800       3.529800      -1.325100    
 C    3.821000      -1.356600       2.099900    
 C   -5.246500      0.1411000       1.654400    
 C   0.9299000       4.193100     -0.1935000    
 C    4.883000      -1.554300       1.217700    
 C   0.6193000      -2.460100      -3.071300    
 C   -7.337300     -0.9074000     -2.9600000E-02
 H   -3.616400     -0.2671000      -1.233200    
 H   -3.590800       1.047700     -8.5699998E-02
 H   -2.472400     -0.5383000       1.578600    
 H   -2.557200      -1.819000      0.3405000    
 H   0.2302000       1.522800       1.776200    
 H    3.400300     -0.6085000      -1.679900    
 H    1.834500       1.642800      -2.236700    
 H    1.813200     -0.6997000       2.350100    
 H   3.0099999E-02  -2.453100      -1.079100    
 H    1.781900      -2.475800      -1.308800    
 H   -6.161000      0.7115000     -0.8261000    
 H   -5.795200     -0.8843000      -1.490400    
 H   0.1392000       3.979600       1.798800    
 H    5.547700      -1.438300     -0.8279000    
 H    1.736000       4.098800      -2.188500    
 H    3.953700      -1.549500       3.160400    
 H   -5.486700       1.201000       1.509000    
 H   -6.079100     -0.3385000       2.178900    
 H   -4.407600      8.5500002E-02   2.356000    
 H   0.8922000       5.278400     -0.1761000    
 H    5.839400      -1.909800       1.590000    
 H   0.5915000      -3.551500      -3.139600    
 H    1.412400      -2.087300      -3.728000    
 H  -0.3256000      -2.059200      -3.453300    
 H   -7.215900      -1.930600      0.3422000    
 H   -7.762800     -0.2895000      0.7672000    
 H   -8.079500     -0.9379000     -0.8351000    


%chk=000018264-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018264

0 1
O 1.179184 -0.953492 -1.788876
O -1.340367 -0.249729 0.052181
O -0.317165 -2.267674 0.556704
N -5.045505 -0.221337 0.602399
C 1.052653 -0.410444 -0.400727
C 0.880185 1.111204 -0.570199
C 2.313740 -0.724641 0.424611
C -0.237781 -1.079002 0.156417
C -3.687819 0.276556 0.269873
C -2.663315 -0.857948 0.391583
C 1.054274 1.965324 0.546180
C 3.555904 -0.307988 -0.124710
C 0.520490 1.669608 -1.819127
C 2.303988 -1.362660 1.687571
C 1.539683 -2.387909 -1.922302
C -6.117780 0.508504 -0.125060
C 0.866725 3.358379 0.417825
C 4.761709 -0.526557 0.570298
C 0.342227 3.065238 -1.949303
C 3.514426 -1.572857 2.390505
C -5.278477 -0.279650 2.062366
C 0.509913 3.915305 -0.832286
C 4.745331 -1.159199 1.837076
C 1.614807 -2.664605 -3.423893
C -7.490769 -0.182337 -0.033823
H -3.682173 0.637350 -0.774013
H -3.369313 1.133600 0.910982
H -2.606100 -1.284839 1.408520
H -2.879145 -1.674216 -0.318856
H 1.346689 1.544096 1.514922
H 3.561601 0.189071 -1.101500
H 0.391530 1.006083 -2.677550
H 1.364171 -1.716424 2.119622
H 0.774414 -3.016695 -1.429077
H 2.513393 -2.572167 -1.428199
H -6.210899 1.566651 0.235266
H -5.816771 0.557106 -1.188486
H 1.005411 4.008277 1.289372
H 5.711047 -0.200026 0.131077
H 0.069900 3.488415 -2.923156
H 3.491770 -2.067418 3.368174
H -5.344778 0.735516 2.530536
H -6.213177 -0.822403 2.279740
H -4.458566 -0.829048 2.555874
H 0.370113 4.997594 -0.934660
H 5.680571 -1.326318 2.383238
H 1.893284 -3.720271 -3.597363
H 2.370994 -2.020267 -3.905169
H 0.640053 -2.477598 -3.907174
H -7.406441 -1.238632 -0.344968
H -7.909173 -0.152881 0.987835
H -8.212568 0.323553 -0.700870


