%chk=000022869.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022869

0 1
 O   9.9799998E-02   1.098600       2.034900    
 O  -0.8741000       2.535400      0.5949000    
 N   -5.331600     -0.1709000     -0.1365000    
 C  -0.2642000      0.3120000     -0.2522000    
 C   -1.542200     -0.5902000     -7.7100001E-02
 C  -0.3646000      0.9987000      -1.652900    
 C   0.9689000     -0.5804000     -9.6000005E-03
 C   -2.897600      0.1190000     -0.2332000    
 C  -0.3724000       1.436500      0.8064000    
 C    2.240000     -3.8600001E-02 -2.4300000E-02
 C   -4.052200     -0.8522000      2.2800000E-02
 C  -0.3943000      7.4400000E-02  -2.868900    
 C   0.7064000      -1.912200      0.2138000    
 C    3.330500     -0.9111000      0.2053000    
 C    2.487800       1.324400     -0.2546000    
 C    1.778800      -2.770100      0.4400000    
 C    3.082800      -2.274200      0.4361000    
 C    4.636500     -0.3948000      0.1979000    
 C    3.792000       1.820100     -0.2588000    
 C   -5.454200      0.9266000      0.8245000    
 C   -6.440600      -1.112900      2.4300000E-02
 C    4.864300      0.9621000     -3.3000000E-02
 H   -1.557700      -1.404800     -0.8124000    
 H   -1.560500      -1.013700      0.9381000    
 H   -1.249400       1.644700      -1.707100    
 H   0.4599000       1.692200      -1.828300    
 H   -2.924400      0.9469000      0.4785000    
 H   -3.007100      0.5343000      -1.240100    
 H   -3.959100      -1.294400       1.023600    
 H   -3.981400      -1.673500     -0.7016000    
 H   0.4833000     -0.5783000      -2.892800    
 H  -0.3924000      0.6693000      -3.788400    
 H   -1.293200     -0.5474000      -2.885900    
 H  -0.2465000      -2.418600      0.2399000    
 H    1.720300       2.073500     -0.3832000    
 H    1.603800      -3.827300      0.6193000    
 H    3.905900      -2.963000      0.6149000    
 H    5.489600      -1.046900      0.3730000    
 H  -4.1000000E-03   1.830200       2.679900    
 H   -6.474900       1.328800      0.8147000    
 H   -4.818300       1.776500      0.5593000    
 H   -5.233000      0.6130000       1.851300    
 H   -7.399800     -0.6134000     -0.1521000    
 H   -6.461800      -1.559400       1.025100    
 H   -6.369900      -1.920600     -0.7128000    
 H    3.970500       2.878500     -0.4256000    
 H    5.879100       1.349200     -3.3300001E-02


%chk=000022869-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022869

0 1
O -0.171643 0.877563 2.071349
O -0.631327 2.556807 0.551927
N -5.440189 -0.089021 -0.073327
C -0.294429 0.213468 -0.268861
C -1.603792 -0.624883 -0.015553
C -0.318280 0.835216 -1.709955
C 0.992344 -0.633515 -0.062675
C -2.926367 0.161417 -0.164481
C -0.365726 1.351736 0.767924
C 2.309193 -0.014426 -0.015457
C -4.131896 -0.714436 0.236401
C -0.463210 -0.200103 -2.844147
C 0.914065 -2.029949 0.025859
C 3.484520 -0.860799 0.112889
C 2.530771 1.406362 -0.078981
C 2.071733 -2.856653 0.151390
C 3.338695 -2.283659 0.191790
C 4.791021 -0.270068 0.166032
C 3.814511 1.953636 -0.020884
C -5.698560 1.140924 0.703675
C -6.550246 -1.055434 0.055719
C 4.962109 1.112013 0.099925
H -1.622068 -1.465742 -0.733264
H -1.546927 -1.060436 1.000433
H -1.137750 1.573941 -1.758936
H 0.613958 1.404606 -1.867411
H -2.899624 1.076277 0.456639
H -3.075058 0.488283 -1.210612
H -4.047333 -0.978582 1.325971
H -4.081768 -1.667563 -0.327342
H 0.309953 -0.986485 -2.775432
H -0.350977 0.298806 -3.823704
H -1.454018 -0.689777 -2.838204
H -0.058082 -2.527162 0.005836
H 1.687600 2.095074 -0.169116
H 1.949468 -3.943371 0.215045
H 4.236521 -2.905764 0.286928
H 5.658947 -0.933592 0.262974
H -0.244407 1.641886 2.705521
H -6.680444 1.555873 0.414296
H -4.934805 1.904998 0.483716
H -5.708885 0.966268 1.811185
H -7.496209 -0.579721 -0.259846
H -6.689846 -1.438798 1.099731
H -6.367940 -1.922736 -0.604093
H 3.941104 3.040787 -0.069357
H 5.963992 1.552736 0.142284


