%chk=000029794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029794

0 1
 O    6.667600     -0.1600000     -0.6496000    
 O    6.323200       1.653000      0.5394000    
 N   -3.347100       2.584400      0.1739000    
 N   0.3787000     -0.1102000     -0.1527000    
 N    1.160800       1.665800      0.9307000    
 N   -1.658900      -3.227300     -0.3732000    
 N    5.897100      0.6462000     -7.5499997E-02
 C   -4.238900       1.426200      0.2234000    
 C   -3.950900       3.486900     -0.8060000    
 C   -5.621700       2.060800      0.2099000    
 C   -5.433100       3.413500     -0.4698000    
 C   -1.981800       2.219800     -0.1739000    
 C   -1.365500       1.314900      0.8949000    
 C   5.8300000E-02  0.9510000      0.5530000    
 C  -0.4957000      -1.104100     -0.7269000    
 C    1.751900     -8.2000002E-02 -0.2367000    
 C  -0.7528000      -2.260800      0.2345000    
 C    2.266300       1.023200      0.4354000    
 C    2.636300     -0.9693000     -0.8729000    
 C   -3.046200      -2.771100     -0.2676000    
 C   -1.508100      -4.541600      0.2541000    
 C    3.630300       1.305300      0.5152000    
 C    4.496400      0.4116000     -0.1237000    
 C    4.010300     -0.7061000     -0.8060000    
 C   -3.995600      -3.737100     -0.9561000    
 C   -1.880800      -4.493300       1.726200    
 H   -4.119000      0.7788000     -0.6548000    
 H   -4.110200      0.8226000       1.126900    
 H   -3.567900       4.508500     -0.7181000    
 H   -3.787500       3.139400      -1.834300    
 H   -6.344800       1.436100     -0.3241000    
 H   -5.993700       2.208100       1.230700    
 H   -5.716700       4.217600      0.2194000    
 H   -6.053200       3.506200      -1.367300    
 H   -1.939200       1.733400      -1.157400    
 H   -1.374800       3.131500     -0.2526000    
 H   -1.946700      0.4007000       1.048800    
 H   -1.357800       1.839200       1.859400    
 H   -1.416400     -0.5965000      -1.027900    
 H  -3.5999998E-02  -1.465100      -1.654600    
 H   0.2187000      -2.727400      0.4479000    
 H   -1.127900      -1.879600       1.193000    
 H    2.276700      -1.844900      -1.404200    
 H   -3.375400      -2.572100      0.7584000    
 H   -3.153600      -1.817900     -0.7979000    
 H   -2.083400      -5.314800     -0.2659000    
 H  -0.4651000      -4.870900      0.1585000    
 H    3.971500       2.182200       1.053700    
 H    4.676800      -1.406700      -1.304500    
 H   -4.978100      -3.265200      -1.070500    
 H   -4.154000      -4.654000     -0.3805000    
 H   -3.645300      -4.003900      -1.959200    
 H   -1.669100      -5.473700       2.170300    
 H   -2.945400      -4.312400       1.898300    
 H   -1.297800      -3.770100       2.303100    


%chk=000029794-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029794

0 1
O 6.754593 -0.200543 -0.589916
O 6.373237 1.703407 0.605346
N -3.396355 2.616250 0.013419
N 0.402034 -0.083640 -0.171565
N 1.159800 1.773936 0.946357
N -1.738350 -3.227922 -0.154954
N 5.961480 0.650345 -0.021625
C -4.368857 1.491827 0.075305
C -3.994758 3.623250 -0.902211
C -5.770383 2.160889 -0.069251
C -5.473412 3.644500 -0.462694
C -2.012046 2.239224 -0.302722
C -1.343964 1.473414 0.874479
C 0.071195 1.074854 0.577975
C -0.521906 -1.117576 -0.667458
C 1.795327 -0.122878 -0.265520
C -0.758998 -2.253036 0.366479
C 2.257450 1.049873 0.432289
C 2.681663 -1.034765 -0.880358
C -3.148073 -2.819794 0.083328
C -1.423068 -4.645198 0.167882
C 3.633724 1.323540 0.524482
C 4.505595 0.402453 -0.094461
C 4.055721 -0.758549 -0.788654
C -4.162291 -3.602880 -0.770221
C -1.570410 -5.055256 1.657949
H -4.199173 0.765599 -0.764262
H -4.265292 0.934773 1.023939
H -3.490344 4.598747 -0.785769
H -3.911141 3.316528 -1.977046
H -6.363515 1.649139 -0.847294
H -6.344019 2.108760 0.871291
H -5.587871 4.302495 0.415633
H -6.140609 4.015192 -1.259832
H -1.954957 1.618851 -1.238691
H -1.427832 3.158663 -0.489508
H -1.948308 0.583466 1.133713
H -1.335807 2.136978 1.754066
H -1.480387 -0.639415 -0.930441
H -0.115348 -1.554288 -1.595584
H 0.202001 -2.766754 0.553484
H -1.070644 -1.798324 1.338235
H 2.328213 -1.923331 -1.412694
H -3.427339 -2.900940 1.163734
H -3.232141 -1.746161 -0.175454
H -2.066302 -5.291767 -0.456385
H -0.384332 -4.833665 -0.163954
H 4.021316 2.201435 1.045516
H 4.801552 -1.416953 -1.240304
H -5.175413 -3.181308 -0.637784
H -4.208843 -4.669567 -0.487046
H -3.892117 -3.541098 -1.839135
H -1.286630 -6.115670 1.790076
H -2.611206 -4.940728 2.010963
H -0.917658 -4.447584 2.311454


