%chk=000023079.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023079

0 1
 O   0.1285000      0.3662000     -0.9018000    
 N    4.081300       1.508600     -0.8871000    
 C    3.878600      9.8399997E-02  -1.242500    
 C    3.384500       1.817800      0.3679000    
 C    2.389500     -0.1556000      -1.519400    
 C    1.870300       1.650200      0.1733000    
 C    1.458900      0.2912000     -0.3930000    
 C    4.501400     -0.8150000     -0.1746000    
 C    3.980800      0.9990000       1.523800    
 C    4.065900     -0.5022000       1.255400    
 C  -0.8267000      6.4099997E-02  0.1035000    
 C   -2.106900      0.8515000     -9.7800002E-02
 C   -1.057800      -1.431100      0.1753000    
 C   -2.492600       1.799200      0.8329000    
 C   -2.863400      0.5934000      -1.227500    
 C   -1.408200      -2.001900       1.385800    
 C  -0.9127000      -2.191500     -0.9712000    
 C   -3.673500       2.512600      0.6279000    
 C   -1.679000       2.081300       2.053000    
 C   -4.044400       1.306900      -1.432500    
 C   -1.620700      -3.378900       1.451900    
 C   -1.125200      -3.568500     -0.9050000    
 C   -4.449500       2.266500     -0.5047000    
 C   -1.479300      -4.162200      0.3064000    
 H    4.414200     -8.8500001E-02  -2.181800    
 H    3.561800       2.876700      0.5950000    
 H    2.106800      0.3750000      -2.439900    
 H    2.217400      -1.217000      -1.738600    
 H    1.362000       1.828700       1.126400    
 H    1.508000       2.438500     -0.5016000    
 H    1.505900     -0.4704000      0.3890000    
 H    5.593600     -0.7066000     -0.2257000    
 H    4.288000      -1.866000     -0.4022000    
 H    3.415600       1.175800       2.446500    
 H    4.998900       1.365600       1.714000    
 H    5.079300       1.682400     -0.7664000    
 H    3.110100     -0.9830000       1.477000    
 H    4.776300     -0.9558000       1.957700    
 H  -0.3886000      0.3333000       1.068600    
 H   -2.561900     -0.1344000      -1.973300    
 H   -1.522000      -1.401900       2.283700    
 H  -0.6430000      -1.754300      -1.927700    
 H   -4.003900       3.264300       1.339900    
 H   -2.160200       2.838100       2.683700    
 H   -1.571300       1.187600       2.675500    
 H  -0.6986000       2.481900       1.783500    
 H   -4.646500       1.118400      -2.316500    
 H   -1.896600      -3.841200       2.395100    
 H   -1.016200      -4.178500      -1.797100    
 H   -5.368400       2.822600     -0.6651000    
 H   -1.645200      -5.234300      0.3578000    


%chk=000023079-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023079

0 1
O 0.032097 0.668552 -0.553061
N 3.969732 1.797275 0.045803
C 3.787455 0.896121 -1.131314
C 3.421987 1.162534 1.279784
C 2.264830 0.782710 -1.403728
C 1.879796 1.072071 1.114721
C 1.438904 0.344694 -0.178866
C 4.529916 -0.461383 -0.932765
C 4.138350 -0.186003 1.601552
C 4.170670 -1.171058 0.401313
C -1.001473 0.176206 0.396811
C -2.321515 0.810725 -0.057268
C -1.019090 -1.349896 0.478485
C -2.539091 2.209481 0.152199
C -3.327023 0.039215 -0.687312
C -1.317692 -1.992679 1.704485
C -0.755261 -2.145270 -0.665550
C -3.760076 2.779762 -0.284957
C -1.497608 3.093791 0.815187
C -4.538610 0.623410 -1.118318
C -1.363314 -3.403024 1.788383
C -0.793149 -3.554753 -0.584558
C -4.756915 2.002703 -0.916903
C -1.100372 -4.189214 0.642622
H 4.236069 1.403394 -2.007679
H 3.615516 1.856692 2.121452
H 1.900694 1.783331 -1.702039
H 2.075030 0.093274 -2.247414
H 1.446863 0.583438 2.008984
H 1.496121 2.108488 1.066560
H 1.500931 -0.750630 -0.036446
H 5.619638 -0.247654 -0.944414
H 4.330361 -1.136850 -1.788354
H 3.669432 -0.671978 2.480512
H 5.181513 0.057811 1.894200
H 4.963374 2.047024 0.169671
H 3.195338 -1.681874 0.305864
H 4.911366 -1.969505 0.602229
H -0.766382 0.569882 1.410223
H -3.165359 -1.032927 -0.836181
H -1.521795 -1.386698 2.596637
H -0.513371 -1.643034 -1.609415
H -3.928673 3.852127 -0.127369
H -1.850429 4.136993 0.880461
H -1.261196 2.755657 1.843405
H -0.552577 3.074835 0.244358
H -5.302258 0.005862 -1.604159
H -1.598313 -3.886589 2.743393
H -0.585652 -4.157765 -1.476012
H -5.692627 2.470573 -1.243779
H -1.130860 -5.282849 0.706066


