%chk=000025335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025335

0 1
 O   0.1046000     -0.1500000     -0.1807000    
 O    1.358800       1.736800      0.2551000    
 N    4.880600     -0.5448000     -0.4766000    
 C    5.353400      -1.140000      0.7668000    
 C    6.118800     -3.5500001E-02  9.8600000E-02
 C    3.776500      0.3723000     -0.2231000    
 C    2.442600     -0.3610000     -0.3299000    
 C   -3.605100      0.3814000      8.8299997E-02
 C   -2.282100     -0.3491000     -0.1365000    
 C   -4.832500     -0.5218000     -6.1799999E-02
 C    1.272800      0.5543000     -4.6000000E-02
 C   -1.091100      0.5805000      5.5399999E-02
 C   -6.157400      0.2149000      0.1389000    
 C   -7.340100     -0.7382000      5.1700000E-02
 H    4.829900     -0.9233000       1.688800    
 H    5.742600      -2.146400      0.6841000    
 H    7.023800     -0.2981000     -0.4335000    
 H    6.119600      0.9461000      0.5542000    
 H    3.834400      0.8840000      0.7490000    
 H    3.806100       1.167900     -0.9792000    
 H    2.403700      -1.183700      0.3936000    
 H    2.319900     -0.7684000      -1.340200    
 H   -3.609000      0.8232000       1.092600    
 H   -3.683500       1.212800     -0.6233000    
 H   -2.196000      -1.198000      0.5532000    
 H   -2.253500     -0.7779000      -1.145800    
 H   -4.759800      -1.341700      0.6637000    
 H   -4.822200     -0.9802000      -1.058500    
 H   -1.082800      0.9734000       1.078900    
 H   -1.151500       1.417800     -0.6499000    
 H   -6.164100      0.7065000       1.118500    
 H   -6.264500      0.9990000     -0.6194000    
 H   -7.377900      -1.227400     -0.9269000    
 H   -7.277300      -1.513500      0.8219000    
 H   -8.277700     -0.1921000      0.1952000    


%chk=000025335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025335

0 1
O 0.109281 -0.075593 -0.165478
O 1.332209 1.899736 0.019227
N 4.939621 -0.475142 -0.455637
C 5.450720 -1.317159 0.690684
C 6.276225 -0.152953 0.161524
C 3.832301 0.462965 -0.121997
C 2.492794 -0.258231 -0.342633
C -3.680851 0.431254 0.064283
C -2.313935 -0.277723 -0.083569
C -4.873310 -0.549046 -0.009147
C 1.298938 0.656409 -0.140326
C -1.152123 0.712677 -0.011391
C -6.244503 0.148876 0.138679
C -7.431123 -0.836280 0.065686
H 4.980894 -1.188159 1.676607
H 5.720745 -2.346404 0.435303
H 7.145575 -0.339185 -0.476332
H 6.351469 0.737947 0.801026
H 3.888094 0.853614 0.922643
H 3.903710 1.331310 -0.800294
H 2.394190 -1.135367 0.323330
H 2.461303 -0.657721 -1.374548
H -3.715437 0.975926 1.030915
H -3.790118 1.198841 -0.730067
H -2.195439 -1.037175 0.713195
H -2.271900 -0.816593 -1.049704
H -4.766701 -1.318009 0.784203
H -4.842221 -1.093631 -0.975867
H -1.114736 1.247374 0.956126
H -1.194237 1.467674 -0.818590
H -6.273898 0.693718 1.104442
H -6.350021 0.917006 -0.654519
H -7.443106 -1.371947 -0.902384
H -7.365328 -1.595774 0.867568
H -8.399079 -0.313434 0.174240


