%chk=000102726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102726

0 1
 O  -0.3903000       1.809700       2.238800    
 N    3.686800      0.1225000     -0.1215000    
 N  -7.2700001E-02 -0.4311000       2.545800    
 C  -0.1745000      0.4209000      0.2176000    
 C    1.245200     -0.1538000     -0.1180000    
 C  -0.3932000       1.794700     -0.5207000    
 C    2.423800      0.7620000      0.2467000    
 C   -1.332200     -0.5551000     -0.1023000    
 C  -0.3398000       1.836300      -2.068400    
 C    4.813100       1.037500      0.1110000    
 C    3.861800      -1.134400      0.6197000    
 C    6.137200      0.4018000     -0.3150000    
 C    5.154900      -1.841200      0.2102000    
 C    6.364600     -0.9311000      0.3890000    
 C  -0.2227000      0.6901000       1.755600    
 C   -2.635900     -0.1992000      0.1697000    
 C   -1.560200       1.093300      -2.630700    
 C   0.9275000       1.230100      -2.666300    
 C  -0.9570000      -1.753900     -0.6566000    
 C   -3.648700      -1.135900     -0.1463000    
 C   -1.953000      -2.674900     -0.9677000    
 C   -2.994300       1.034300      0.7378000    
 C   -3.290600      -2.369300     -0.7146000    
 C   -4.989900     -0.8116000      0.1152000    
 C   -4.331800       1.339600      0.9909000    
 C   -5.327900      0.4185000      0.6803000    
 H    1.365600     -0.5334000      -1.126700    
 H    1.336900      -1.047900      0.5073000    
 H   0.3946000       2.478600     -0.1745000    
 H   -1.282500       2.358000     -0.2557000    
 H    2.411700      0.9770000       1.323200    
 H    2.353400       1.729300     -0.2525000    
 H  -0.4013000       2.889000      -2.372900    
 H    4.674200       1.955300     -0.4733000    
 H    4.868200       1.328800       1.168200    
 H    3.076900      -1.861600      0.3981000    
 H    3.861300     -0.9590000       1.703400    
 H    6.137100      0.2459000      -1.401400    
 H    6.964700       1.084200     -9.0300001E-02
 H    5.286500      -2.750400      0.8080000    
 H    5.086800      -2.155500     -0.8394000    
 H    6.535900     -0.7559000       1.458200    
 H    7.263200      -1.417200     -6.2000002E-03
 H   -1.463500      8.3999997E-03  -2.617300    
 H   -1.669900       1.357900      -3.690500    
 H   -2.490100       1.403800      -2.147300    
 H    1.006600       1.601600      -3.698500    
 H   0.8827000      0.1482000      -2.797800    
 H    1.847600       1.563500      -2.194600    
 H   5.0999999E-02  -2.071400     -0.8802000    
 H   3.3199999E-02  -1.366200       2.167300    
 H  -8.9599997E-02 -0.3554000       3.557400    
 H   -1.690900      -3.633200      -1.406800    
 H   -2.331500       1.791500       1.109500    
 H   -4.052500      -3.104300     -0.9656000    
 H   -5.784800      -1.516800     -0.1186000    
 H   -4.596600       2.288200       1.449600    
 H   -6.368600      0.6549000      0.8820000    


%chk=000102726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102726

0 1
O 0.048394 1.923390 2.196423
N 3.784090 -0.038374 0.093349
N -0.296832 -0.338415 2.525771
C -0.124736 0.458780 0.169332
C 1.293846 -0.187838 -0.068738
C -0.273513 1.833209 -0.584100
C 2.502973 0.654742 0.397754
C -1.266627 -0.531529 -0.186375
C -0.417984 1.929630 -2.138447
C 4.918497 0.913694 -0.044366
C 4.107105 -1.104890 1.077409
C 6.197432 0.188825 -0.511442
C 5.359668 -1.897369 0.651014
C 6.567363 -0.950972 0.464564
C -0.140268 0.766940 1.710910
C -2.652188 -0.268256 0.184826
C -1.800952 1.493395 -2.686500
C 0.714990 1.281685 -2.974119
C -0.990404 -1.699874 -0.915520
C -3.688884 -1.193082 -0.244538
C -2.011774 -2.609420 -1.326441
C -3.068976 0.866937 0.964485
C -3.342408 -2.356910 -1.005955
C -5.060033 -0.942555 0.097333
C -4.410792 1.083399 1.285687
C -5.423077 0.176482 0.845733
H 1.445241 -0.390315 -1.139970
H 1.322664 -1.164542 0.452096
H 0.591448 2.450957 -0.280798
H -1.147975 2.358095 -0.158671
H 2.419174 0.903940 1.482457
H 2.512010 1.616587 -0.145748
H -0.348177 3.025174 -2.320230
H 4.632555 1.688715 -0.780043
H 5.130115 1.436819 0.926738
H 3.242501 -1.787853 1.163299
H 4.281371 -0.663877 2.096227
H 6.017463 -0.232416 -1.519529
H 7.025613 0.919061 -0.593396
H 5.582381 -2.670220 1.412161
H 5.145287 -2.415769 -0.303577
H 6.849343 -0.517094 1.446658
H 7.446975 -1.510732 0.093869
H -1.930700 0.398165 -2.653871
H -1.907668 1.812096 -3.741339
H -2.625672 1.949236 -2.108293
H 0.669219 1.649066 -4.016974
H 0.613405 0.181801 -3.014278
H 1.717503 1.523140 -2.574668
H 0.037392 -1.929472 -1.206120
H -0.555967 -1.246626 2.141333
H -0.286448 -0.203222 3.536353
H -1.736752 -3.499521 -1.902850
H -2.330213 1.580534 1.335802
H -4.138496 -3.040324 -1.324505
H -5.821174 -1.655076 -0.243210
H -4.688348 1.958037 1.884213
H -6.472478 0.359712 1.101116


