%chk=000028466.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028466

0 1
 O  -0.6856000      -1.854700       1.145900    
 N   -1.195300      0.3774000      0.6285000    
 N   -5.564600      -1.839200     -0.2168000    
 C   -2.615800      0.3198000       1.007400    
 C   -3.396900     -0.7122000      0.1961000    
 C  -0.6538000       1.625000      0.1287000    
 C   -4.874500     -0.8321000      0.5800000    
 C  -0.3417000     -0.7433000      0.7359000    
 C    1.115500     -0.5110000      0.3432000    
 C  -0.1237000       2.509200       1.032100    
 C  -0.6990000       1.856000      -1.221800    
 C    1.973200      -1.771100      0.4870000    
 C   0.3985000       3.709700      0.5506000    
 C  -0.1767000       3.056400      -1.703100    
 C    3.407700      -1.515400      0.1018000    
 C  -8.0799997E-02   2.244900       2.502400    
 C   -1.279300      0.8827000      -2.196300    
 C   0.3719000       3.983400     -0.8170000    
 C   -5.567200      -1.464400      -1.632000    
 C   -4.940900      -3.152100     -4.0800001E-02
 C    3.803600      -1.701800      -1.214500    
 C    4.309500      -1.097300       1.069400    
 C    5.131100      -1.465000      -1.571300    
 C    5.637000     -0.8604000      0.7125000    
 C    6.047700      -1.044300     -0.6079000    
 H   -2.649900      4.6500001E-02   2.068600    
 H   -3.065900       1.313300      0.8987000    
 H   -3.301200     -0.4411000     -0.8570000    
 H   -2.903800      -1.678900      0.3125000    
 H   -4.960100      -1.083100       1.644900    
 H   -5.370000      0.1403000      0.4659000    
 H    1.158100     -0.1803000     -0.7000000    
 H    1.543900      0.2746000      0.9724000    
 H    1.564000      -2.580900     -0.1315000    
 H    1.931300      -2.143100       1.519300    
 H   0.8297000       4.443600       1.226400    
 H  -0.1920000       3.284800      -2.765500    
 H   -1.095800       2.155800       2.903100    
 H   0.4766000       1.331800       2.729300    
 H   0.4093000       3.060600       3.045700    
 H   -2.358500       1.040100      -2.283600    
 H  -0.8415000       1.022200      -3.191600    
 H   -1.080500     -0.1577000      -1.925300    
 H   0.7780000       4.918400      -1.191700    
 H   -5.948500     -0.4464000      -1.770800    
 H   -4.589000      -1.543900      -2.117500    
 H   -6.250300      -2.124600      -2.179500    
 H   -5.601100      -3.921100     -0.4593000    
 H   -3.973500      -3.260100     -0.5427000    
 H   -4.821300      -3.397200       1.020600    
 H    3.096600      -2.026900      -1.972600    
 H    3.998800     -0.9492000       2.099700    
 H    5.450900      -1.607500      -2.599400    
 H    6.350800     -0.5322000       1.462400    
 H    7.081300     -0.8595000     -0.8858000    


%chk=000028466-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028466

0 1
O -0.414226 -2.180013 0.915186
N -0.970720 0.050591 0.584438
N -5.776077 -1.555498 -0.164888
C -2.332440 -0.224388 1.125703
C -3.330059 -0.749516 0.071371
C -0.677467 1.395347 0.124066
C -4.717302 -1.030518 0.723876
C -0.063947 -1.013479 0.543438
C 1.362535 -0.727556 0.063190
C -0.467514 2.419533 1.098826
C -0.634147 1.685991 -1.272301
C 2.405322 -1.515591 0.906184
C -0.224614 3.740755 0.652774
C -0.390249 3.023779 -1.674687
C 3.809029 -1.374893 0.337632
C -0.483580 2.111653 2.585753
C -0.808978 0.610520 -2.329881
C -0.190401 4.046139 -0.725023
C -6.225434 -0.618271 -1.207317
C -5.533924 -2.917176 -0.672139
C 4.303072 -2.306410 -0.612469
C 4.643921 -0.290922 0.714316
C 5.592344 -2.159036 -1.172575
C 5.934106 -0.138547 0.158104
C 6.413109 -1.072594 -0.789764
H -2.221082 -0.978245 1.926871
H -2.714604 0.713870 1.568309
H -3.442293 -0.004598 -0.740072
H -2.923610 -1.679886 -0.366379
H -4.580158 -1.758308 1.548927
H -5.096811 -0.092862 1.180401
H 1.441037 -1.061533 -0.990699
H 1.590459 0.352129 0.075476
H 2.087724 -2.572771 0.931859
H 2.373537 -1.144709 1.948489
H -0.053955 4.530832 1.393634
H -0.358468 3.257780 -2.745548
H -1.513360 2.117501 2.993326
H -0.062312 1.113731 2.798881
H 0.093938 2.864947 3.148411
H -1.316347 1.017410 -3.222078
H 0.173360 0.222920 -2.662997
H -1.390024 -0.247616 -1.957888
H -0.003399 5.073896 -1.055314
H -6.449953 0.363374 -0.751335
H -5.485003 -0.453459 -2.030694
H -7.155051 -0.999681 -1.669290
H -6.461248 -3.309048 -1.129997
H -4.723449 -2.985464 -1.440414
H -5.260430 -3.581637 0.167158
H 3.674434 -3.156619 -0.906202
H 4.281725 0.434869 1.453784
H 5.958651 -2.892304 -1.900442
H 6.566008 0.702768 0.465586
H 7.414621 -0.958685 -1.219876


