%chk=000082447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082447

0 1
 O   -1.818800       1.467200      -1.025300    
 N    1.876900     -0.1193000      0.1980000    
 N  -0.4984000      0.1355000      0.3184000    
 C    3.142500      0.5728000     -5.6100000E-02
 C    1.769200      -1.288500     -0.6798000    
 C   0.7540000      0.8017000      4.1999999E-03
 C    3.289900       1.792900      0.8373000    
 C    2.909100      -2.263500     -0.4381000    
 C   -1.704100      0.5323000     -0.2341000    
 C   -2.890400     -0.2762000      0.2075000    
 C   -2.743200      -1.419700       1.165000    
 C   -4.086600      6.4700000E-02 -0.2972000    
 H    3.992200     -7.3100001E-02  0.1873000    
 H    3.242600      0.8732000      -1.106800    
 H   0.8404000      -1.833400     -0.4749000    
 H    1.747100      -1.000700      -1.738600    
 H   0.7140000       1.197800      -1.017800    
 H   0.7832000       1.644000      0.7011000    
 H    2.667700       2.631100      0.5089000    
 H    3.059200       1.562900       1.883300    
 H    4.326800       2.146500      0.8043000    
 H    3.854800      -1.919100     -0.8676000    
 H    3.053000      -2.464400      0.6291000    
 H    2.679400      -3.220200     -0.9209000    
 H  -0.4588000     -0.6039000       1.010700    
 H   -3.701900      -1.910800       1.366100    
 H   -2.069200      -2.180700      0.7582000    
 H   -2.350300      -1.071100       2.125700    
 H   -4.983400     -0.4810000     -2.0400001E-02
 H   -4.219900      0.8860000     -0.9932000    


%chk=000082447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082447

0 1
O -1.866664 0.839119 -1.618515
N 1.855555 0.045527 -0.142399
N -0.507581 0.364415 0.208883
C 3.156856 0.757904 -0.023737
C 1.872536 -1.095986 -1.100037
C 0.710522 0.952328 -0.364847
C 3.343183 1.448756 1.341434
C 2.590981 -2.337645 -0.539111
C -1.719541 0.315661 -0.466121
C -2.844857 -0.397929 0.260259
C -2.596012 -1.014368 1.627154
C -4.052008 -0.453220 -0.362725
H 3.956738 0.006714 -0.148824
H 3.295411 1.501553 -0.847353
H 0.820160 -1.358603 -1.313976
H 2.330808 -0.798695 -2.075340
H 0.485380 1.153753 -1.434812
H 0.934328 1.919793 0.122410
H 2.575210 2.222698 1.523360
H 3.278533 0.706307 2.155829
H 4.331124 1.943445 1.390844
H 3.658054 -2.140468 -0.329046
H 2.113758 -2.660592 0.402729
H 2.542208 -3.170230 -1.265130
H -0.392409 -0.087482 1.117661
H -3.511460 -1.496042 2.008995
H -1.805370 -1.789919 1.590461
H -2.288606 -0.253438 2.371374
H -4.915412 -0.950768 0.092444
H -4.174425 0.010412 -1.347565


