%chk=000040560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040560

0 1
 O  -0.9363000     -0.8964000      -2.415500    
 O    1.009000       1.078000      -2.336600    
 O  -0.2112000      -2.230300      5.0500002E-02
 O   0.2271000       2.265700      0.1416000    
 N   -3.508800     -0.5407000      1.5100000E-02
 N    3.505900      0.5348000      5.3100001E-02
 C  -0.7299000     -0.1861000      -1.197000    
 C   0.7385000      0.3008000      -1.171800    
 C   -1.080200      -1.100200       0.000000    
 C    1.090300       1.127600      8.5299999E-02
 C   -2.525200      -1.623100      9.9999998E-03
 C    2.540000       1.631300      0.1164000    
 C   -4.872800      -1.085500     -3.5799999E-02
 C   -3.323100      0.3173000       1.193700    
 C    3.295000     -0.4010000       1.166500    
 C    4.879000       1.058700      5.2299999E-02
 C   -5.913000      3.4899998E-02 -8.0700003E-02
 C   -4.312600       1.483700       1.188800    
 C    4.265500      -1.580600       1.087300    
 C    5.901200     -7.2899997E-02 -6.3100003E-02
 C   -5.751600      0.9893000       1.097100    
 C    5.713200      -1.105200       1.042700    
 H   -1.392100      0.6865000      -1.229500    
 H    1.395100     -0.5732000      -1.244600    
 H  -0.8862000     -0.5787000      0.9383000    
 H   0.8711000      0.5638000      0.9936000    
 H   -2.658900      -2.282000      0.8798000    
 H   -2.676900      -2.268200     -0.8652000    
 H    2.690100       2.237900       1.020600    
 H    2.695100       2.319200     -0.7252000    
 H   -4.994400      -1.699200     -0.9367000    
 H   -5.067700      -1.733300      0.8291000    
 H   -3.433400     -0.2585000       2.122000    
 H   -2.334600      0.7843000       1.208300    
 H    2.299200     -0.8517000       1.140900    
 H    3.406200      0.1061000       2.133800    
 H    5.018800       1.732600     -0.8017000    
 H    5.076400       1.640300      0.9625000    
 H   -6.920900     -0.3951000     -7.2400004E-02
 H   -5.811000      0.5932000      -1.020100    
 H   -4.185600       2.081800       2.098400    
 H   -4.098400       2.144400      0.3389000    
 H    4.048700      -2.176000      0.1911000    
 H    4.120300      -2.239200       1.951200    
 H    6.915800      0.3384000     -1.6100001E-02
 H    5.799100     -0.5617000      -1.040400    
 H   -6.435400       1.838400      0.9900000    
 H   -6.021200      0.4727000       2.026500    
 H    6.384100      -1.956100      0.8815000    
 H    5.982300     -0.6602000       2.008600    
 H   -1.893800      -1.019500      -2.528500    
 H   0.4444000       1.869000      -2.299400    
 H  -0.2993000      -2.706100     -0.7931000    
 H   0.4271000       2.747500      0.9622000    


%chk=000040560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040560

0 1
O -1.263601 -0.276389 -1.563093
O 0.665608 2.008472 -1.390383
O -0.003595 -1.665899 0.901373
O 0.583343 2.366199 1.351626
N -3.517125 -0.537563 0.139014
N 3.611056 0.353271 0.243517
C -0.840987 0.366559 -0.309907
C 0.617936 0.838900 -0.498550
C -1.060902 -0.631976 0.858259
C 1.325327 1.186531 0.826261
C -2.432480 -1.361917 0.745304
C 2.811786 1.540843 0.603556
C -4.674144 -1.381447 -0.284635
C -3.971744 0.553019 1.051571
C 3.955277 -0.497908 1.411578
C 4.806906 0.690096 -0.572251
C -5.732477 -0.536742 -1.022053
C -5.003917 1.462612 0.357296
C 4.643279 -1.804548 0.967083
C 5.510365 -0.586466 -1.075272
C -6.213467 0.638859 -0.140153
C 5.892148 -1.503064 0.108761
H -1.461136 1.265692 -0.111944
H 1.202654 0.057857 -1.010993
H -0.962320 -0.107547 1.823948
H 1.239434 0.342393 1.533051
H -2.717668 -1.755803 1.748812
H -2.280629 -2.234382 0.083581
H 3.207091 2.047871 1.527485
H 2.862027 2.269949 -0.225897
H -4.291977 -2.182340 -0.945312
H -5.144953 -1.876698 0.602881
H -4.425457 0.113324 1.977075
H -3.094957 1.145059 1.368432
H 3.029878 -0.737910 1.964986
H 4.635743 0.054285 2.115199
H 4.474847 1.305178 -1.428448
H 5.541873 1.300616 0.018354
H -6.583117 -1.185012 -1.307055
H -5.287996 -0.141647 -1.956331
H -5.331377 2.249828 1.063051
H -4.517873 1.966282 -0.500840
H 3.921990 -2.401974 0.376906
H 4.915572 -2.396384 1.862230
H 6.407856 -0.305103 -1.659259
H 4.822329 -1.126118 -1.754260
H -6.915485 1.281861 -0.703324
H -6.770179 0.239204 0.732922
H 6.347365 -2.442550 -0.257956
H 6.655885 -0.995855 0.734891
H -2.264638 -0.323108 -1.463057
H 0.331343 2.771794 -0.846095
H 0.081466 -2.026459 -0.020825
H 1.127820 2.803755 2.053191


