%chk=000029686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029686

0 1
 O    1.232700     -0.7030000      0.5649000    
 O    1.429700      1.4000000E-03  -1.648000    
 N   -4.066600      -1.776700     -0.3419000    
 N   -3.928500       4.064000      7.3299997E-02
 N    5.936300      0.7618000      0.4366000    
 C   -3.647100      0.2859000      0.3631000    
 C   -2.410900     -0.4127000      0.2705000    
 C   -2.702100      -1.704200     -0.1737000    
 C   -3.835400       1.686600      0.7909000    
 C   -4.646300     -0.5788000     -2.0199999E-02
 C   -1.067800     -6.9100000E-02  0.5229000    
 C   -3.768600       2.686100     -0.3786000    
 C   -1.713600      -2.673300     -0.3789000    
 C  -6.8400003E-02  -1.028100      0.3221000    
 C  -0.3885000      -2.309600     -0.1220000    
 C    1.909400     -0.1804000     -0.5390000    
 C    3.317000      0.1488000     -0.1981000    
 C    3.936700       1.186000     -0.8545000    
 C    3.960600     -0.5925000      0.7646000    
 C    5.249300       1.453300     -0.5003000    
 C    5.272100     -0.2456000       1.046300    
 H   -4.805200       1.787900       1.296400    
 H   -3.077800       1.949000       1.540600    
 H   -5.717300     -0.4509000     -9.3999997E-02
 H   -4.567100      -2.596100     -0.6575000    
 H  -0.8076000      0.9276000      0.8688000    
 H   -4.554100       2.458800      -1.108500    
 H   -2.808200       2.590000     -0.8987000    
 H   -1.961900      -3.671200     -0.7245000    
 H   0.3989000      -3.044600     -0.2728000    
 H   -3.817800       4.694800     -0.7196000    
 H   -3.185000       4.296800      0.7303000    
 H    3.440300       1.780400      -1.612700    
 H    3.498900      -1.421900       1.287500    
 H    5.800100       2.258000     -0.9762000    
 H    5.842500     -0.7892000       1.792500    


%chk=000029686-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029686

0 1
O 1.163479 -0.327374 -0.210352
O 2.419539 -1.931010 -1.397580
N -4.201312 -1.808186 -0.607587
N -3.967481 3.924691 1.177954
N 5.845945 1.430302 0.414385
C -3.763439 0.150510 0.503633
C -2.507411 -0.423989 0.045328
C -2.812987 -1.651300 -0.647310
C -3.953207 1.442932 1.257556
C -4.766096 -0.724895 0.085726
C -1.153708 -0.024792 0.162390
C -3.734888 2.705407 0.380184
C -1.808271 -2.463163 -1.214100
C -0.162381 -0.843377 -0.406985
C -0.464905 -2.056612 -1.095299
C 2.342649 -0.887005 -0.706923
C 3.523528 -0.061063 -0.298704
C 4.810694 -0.474231 -0.724797
C 3.416838 1.110782 0.491093
C 5.930872 0.296820 -0.347110
C 4.596921 1.814674 0.817960
H -4.971391 1.505003 1.682291
H -3.250413 1.486120 2.116406
H -5.842150 -0.655376 0.236531
H -4.719282 -2.587380 -1.006811
H -0.862079 0.893208 0.681096
H -4.466224 2.689316 -0.449022
H -2.721891 2.649599 -0.086767
H -2.048796 -3.393698 -1.739338
H 0.337761 -2.656053 -1.524090
H -4.065772 4.783442 0.628974
H -3.317629 4.042910 1.961885
H 4.916846 -1.376171 -1.334825
H 2.440436 1.456785 0.837422
H 6.940587 0.008027 -0.658597
H 4.554316 2.724449 1.426984


