%chk=000045774.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045774

2 1
 O   2.1700000E-02  0.1794000      0.1694000    
 N   -3.649000      1.8800000E-02 -0.2440000    
 N    4.891600      5.7100002E-02  8.5900001E-02
 C   -2.359900      0.3566000      0.4105000    
 C   -4.833600      0.4476000      0.6324000    
 C   -3.756700      -1.492900     -0.4863000    
 C   -3.775000      0.7297000      -1.598300    
 C   -1.215500     -0.1087000     -0.4683000    
 C    3.635100     -0.3442000     -0.6732000    
 C    2.414400      9.5799997E-02  0.1168000    
 C   -4.795000       1.948100      0.8229000    
 C   -3.635300      -2.219300      0.8354000    
 C    1.126000     -0.2405000     -0.6200000    
 C    4.880300     -0.5894000       1.463600    
 C    6.119300     -0.4091000     -0.6833000    
 C    4.931900       1.571000      0.2364000    
 H   -2.273300       1.444100      0.5100000    
 H   -2.312600     -4.7899999E-02   1.426500    
 H   -5.760300      0.1273000      0.1438000    
 H   -4.746900     -2.4000000E-02   1.613900    
 H   -4.744800      -1.676600     -0.9267000    
 H   -3.017000      -1.816100      -1.223000    
 H   -3.181900      0.1897000      -2.342500    
 H   -3.410300       1.756900      -1.511200    
 H   -4.824700      0.7088000      -1.907700    
 H   -1.216600      0.3994000      -1.437600    
 H   -1.228800      -1.188100     -0.6321000    
 H    3.656000      -1.432400     -0.8050000    
 H    3.673000      0.1337000      -1.659100    
 H    2.354900     -0.3920000       1.095000    
 H    2.397300       1.173400      0.3053000    
 H   -4.862800       2.515300     -0.1083000    
 H   -3.929000       2.292400       1.393600    
 H   -5.671200       2.241900       1.414100    
 H   -4.439900      -2.005400       1.541500    
 H   -2.670300      -2.086200       1.329400    
 H   -3.711300      -3.295600      0.6349000    
 H    1.103000      0.2738000      -1.588100    
 H    1.065500      -1.321600     -0.7926000    
 H    4.662900      -1.655700       1.351300    
 H    5.873700     -0.4577000       1.905200    
 H    4.148700     -9.6600004E-02   2.108500    
 H    6.108600      6.4300001E-02  -1.669600    
 H    7.014400     -0.1133000     -0.1283000    
 H    6.073500      -1.498000     -0.7795000    
 H    4.747700       2.028100     -0.7403000    
 H    4.199100       1.900100      0.9768000    
 H    5.929800       1.847200      0.5929000    


%chk=000045774-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045774

2 1
O 0.005730 0.057584 -0.065511
N -3.773743 0.039958 -0.282358
N 5.015821 0.165389 0.187639
C -2.326695 0.199535 0.213444
C -4.749244 0.552699 0.825277
C -4.119846 -1.448559 -0.596429
C -3.997630 0.843307 -1.564360
C -1.238250 -0.380505 -0.709475
C 3.736461 -0.360206 -0.516598
C 2.402995 0.134823 0.072811
C -4.650697 2.046154 1.152488
C -3.947003 -2.430309 0.566628
C 1.219990 -0.444260 -0.729472
C 5.042624 -0.249797 1.659424
C 6.226665 -0.454655 -0.521703
C 5.113357 1.688483 0.084177
H -2.141087 1.278222 0.336242
H -2.260815 -0.274776 1.205255
H -5.760456 0.297552 0.462304
H -4.538534 -0.054798 1.719999
H -5.165762 -1.436722 -0.949638
H -3.483187 -1.735433 -1.450852
H -3.465925 0.361725 -2.398144
H -3.627707 1.869421 -1.429848
H -5.075639 0.863467 -1.786325
H -1.300036 0.025851 -1.740905
H -1.276844 -1.488720 -0.757117
H 3.801287 -1.462259 -0.466516
H 3.834882 -0.058095 -1.575021
H 2.279097 -0.183011 1.123061
H 2.323850 1.235605 0.038321
H -4.897367 2.697522 0.298220
H -3.671050 2.339530 1.564854
H -5.398322 2.258988 1.937162
H -4.637165 -2.241786 1.404456
H -2.914297 -2.468426 0.953487
H -4.183794 -3.439714 0.186024
H 1.245515 -0.103565 -1.787051
H 1.228629 -1.555673 -0.715342
H 4.927022 -1.342289 1.728839
H 6.009322 0.049051 2.092523
H 4.228925 0.252558 2.200750
H 6.210706 -0.166206 -1.583753
H 7.148725 -0.082899 -0.049997
H 6.178266 -1.550359 -0.429090
H 5.068951 1.981812 -0.975887
H 4.286997 2.152099 0.640774
H 6.071978 2.010890 0.518232


