%chk=000047248.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047248

2 1
 O    5.688300       1.587200      0.1076000    
 N    3.539200     -0.3411000      5.1300000E-02
 N   -1.333600      -1.014200     -0.5791000    
 C    2.483200     -0.9778000     -0.8578000    
 C    3.300100       1.172600      9.0099998E-02
 C    4.925100     -0.6200000     -0.5418000    
 C    3.387300     -0.9672000       1.436100    
 C    1.082600     -0.6887000     -0.3358000    
 C    4.460500       1.883500      0.7689000    
 C    5.990700      0.1955000      0.1740000    
 C  -1.6600000E-02  -1.338600      -1.171400    
 C   -1.951500      8.7200001E-02 -0.9966000    
 C   -1.825600      -1.841000      0.3372000    
 C   -3.195200      0.4263000     -0.4603000    
 C   -3.760000     -0.4215000      0.5173000    
 C   -3.057600      -1.566500      0.9135000    
 C   -3.888200       1.577500     -0.8658000    
 C   -5.010300     -9.4200000E-02   1.067100    
 C   -5.129100       1.887700     -0.3094000    
 C   -5.689100       1.053500      0.6549000    
 H    2.683100      -2.055300     -0.8943000    
 H    2.615400     -0.5648000      -1.864900    
 H    2.380300       1.380900      0.6431000    
 H    3.205400       1.507900     -0.9492000    
 H    4.878900     -0.3278000      -1.597500    
 H    5.114500      -1.696100     -0.4676000    
 H    4.262100     -0.7217000       2.041000    
 H    2.506900     -0.5559000       1.935400    
 H    3.317000      -2.053600       1.327600    
 H   0.9536000      -1.044200      0.6901000    
 H   0.8791000      0.3862000     -0.3269000    
 H    4.308900       2.966300      0.7108000    
 H    4.541000       1.626400       1.831100    
 H    6.135000     -0.1045000       1.216700    
 H    6.952000      4.8400000E-02 -0.3296000    
 H   9.0099998E-02  -2.429300      -1.201000    
 H  -3.1000001E-03 -0.9798000      -2.207100    
 H   -1.450000      0.6880000      -1.746900    
 H   -1.238700      -2.709500      0.6101000    
 H   -3.459600      -2.241600       1.663800    
 H   -3.467200       2.241400      -1.617700    
 H   -5.466400     -0.7312000       1.821900    
 H   -5.658800       2.780500     -0.6287000    
 H   -6.655500       1.296100       1.087400    


%chk=000047248-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047248

2 1
O 6.111724 1.358904 -0.087942
N 3.661336 -0.294402 0.154872
N -1.413793 -0.815053 -0.548270
C 2.455115 -0.788414 -0.679307
C 3.668314 1.257566 0.227388
C 4.949877 -0.754252 -0.602284
C 3.629524 -0.911126 1.551968
C 1.058620 -0.481120 -0.095361
C 5.005723 1.804279 0.758843
C 6.224229 -0.100252 -0.043222
C -0.024717 -1.018582 -1.073488
C -2.181561 0.219817 -0.999946
C -1.909350 -1.709996 0.407756
C -3.496760 0.431776 -0.521152
C -4.031314 -0.484545 0.478136
C -3.187977 -1.557938 0.917210
C -4.305168 1.513543 -1.005892
C -5.357006 -0.287886 0.961970
C -5.600115 1.678468 -0.511095
C -6.125301 0.777510 0.473560
H 2.596022 -1.879205 -0.792941
H 2.567684 -0.325284 -1.676098
H 2.826417 1.573350 0.865777
H 3.512392 1.613718 -0.805498
H 4.811712 -0.447062 -1.652822
H 4.991896 -1.855708 -0.539696
H 4.574404 -0.701779 2.070569
H 2.801326 -0.476817 2.130446
H 3.501556 -2.000917 1.459115
H 0.925079 -0.965548 0.888421
H 0.911039 0.605557 0.039189
H 4.990213 2.903541 0.688365
H 5.180533 1.530149 1.820140
H 6.468913 -0.446627 0.982031
H 7.069187 -0.362495 -0.699716
H 0.108888 -2.100750 -1.250180
H 0.044720 -0.511309 -2.050879
H -1.740593 0.871440 -1.759920
H -1.248661 -2.529207 0.696768
H -3.551708 -2.279870 1.653910
H -3.907306 2.199405 -1.761505
H -5.770253 -0.971616 1.710307
H -6.226374 2.498064 -0.875456
H -7.144289 0.927673 0.843529


