%chk=000039096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039096

0 1
 O    2.442600       1.577500     -0.3510000    
 O  -0.7684000      0.3172000      0.2121000    
 O   0.6789000       1.200800       1.775200    
 O   0.7373000       3.120300     -0.5970000    
 N   -3.825400      0.9037000     -0.2169000    
 C    1.501700      0.5077000     -0.4120000    
 C    2.222200     -0.7920000     -0.2829000    
 C   0.4526000      0.7229000      0.6707000    
 C    3.389700     -0.8698000      0.4766000    
 C    1.728700      -1.929400     -0.9217000    
 C   -1.856500      0.4786000       1.127400    
 C    4.063700      -2.085100      0.5970000    
 C    2.402600      -3.144700     -0.8012000    
 C   -3.118500     -9.7000003E-03  0.4789000    
 C    3.570200      -3.222500     -4.1900001E-02
 C   -3.478900      -1.335400      0.6265000    
 C    1.917000       2.830900     -0.4570000    
 C   -4.653700      -1.756100      1.3200000E-02
 C    2.970400       3.875200     -0.3823000    
 C   -5.414900     -0.8484000     -0.7150000    
 C   -4.961400      0.4581000     -0.7989000    
 H    1.024100      0.5653000      -1.399700    
 H    3.789200     -2.9000000E-03  0.9958000    
 H   0.8191000      -1.882500      -1.514700    
 H   -1.963100       1.540700       1.380400    
 H   -1.656400     -7.8299999E-02   2.050800    
 H    4.970900      -2.146700       1.190800    
 H    2.017900      -4.030600      -1.297900    
 H    4.094300      -4.169000      5.2700002E-02
 H   -2.876300      -2.035300       1.195000    
 H   -4.975300      -2.789400      0.1020000    
 H   -6.334000      -1.154100      -1.201500    
 H   -5.518600       1.204800      -1.355000    
 H    3.679000       3.746300      -1.204400    
 H    3.485900       3.812800      0.5795000    
 H    2.516300       4.866700     -0.4682000    


%chk=000039096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039096

0 1
O 2.670551 1.644135 -0.022561
O -0.856452 1.157559 -0.786387
O 0.137492 1.854323 1.218920
O 1.911475 3.662613 -0.908037
N -4.242091 0.280929 0.438523
C 1.515733 0.975526 -0.664049
C 1.725230 -0.525272 -0.545881
C 0.220983 1.404762 0.060765
C 2.099362 -1.095176 0.696884
C 1.509801 -1.362358 -1.666310
C -2.218877 1.410344 -0.253837
C 2.262622 -2.492502 0.811363
C 1.668404 -2.762076 -1.548079
C -2.936677 0.109295 0.065854
C 2.045963 -3.329738 -0.309216
C -2.318478 -1.160291 -0.009313
C 2.730786 3.041693 -0.197671
C -3.083291 -2.301419 0.324408
C 3.878937 3.621436 0.590291
C -4.431071 -2.139052 0.716588
C -4.964831 -0.829856 0.755871
H 1.431845 1.293536 -1.717350
H 2.269877 -0.441646 1.558688
H 1.218831 -0.922484 -2.627382
H -2.752536 1.958800 -1.046250
H -2.148490 2.043808 0.648602
H 2.557420 -2.929121 1.771914
H 1.504793 -3.404426 -2.420255
H 2.174726 -4.414086 -0.218398
H -1.276534 -1.250485 -0.327317
H -2.631746 -3.298110 0.277549
H -5.055297 -2.997666 0.982979
H -6.006129 -0.654293 1.049942
H 4.744503 2.940503 0.585027
H 3.560888 3.754915 1.640502
H 4.155175 4.603482 0.179024


