%chk=000018739.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018739

0 1
 O    7.388900     -0.7652000      -1.195400    
 N    7.337300     -0.1316000      2.7100001E-02
 C    1.011300      0.5841000     -3.5100002E-02
 C    2.292500     -0.2489000     -0.1246000    
 C  -0.2685000     -0.2560000     -8.7899998E-02
 C    3.535400      0.6399000     -3.1599998E-02
 C   -1.584300      0.5209000      2.1400001E-02
 C    4.851200     -0.1461000     -2.7799999E-02
 C   -2.827400     -0.3640000     -9.9900000E-02
 C    6.110700      0.6947000      0.1199000    
 C   -4.108700      0.4669000      7.8999996E-03
 C   -5.387600     -0.3713000     -8.1100002E-02
 C   -6.667300      0.4499000      0.1001000    
 C   -7.911600     -0.4356000     -9.4999997E-03
 C    7.347400      -1.181000       1.111100    
 C    8.565700      0.7326000      0.1708000    
 C   -9.222500      0.3406000      0.1342000    
 C   -10.46260     -0.5299000      5.0000002E-04
 H    1.016700       1.159100      0.8992000    
 H   0.9936000       1.312900     -0.8548000    
 H    2.307400     -0.8071000      -1.068100    
 H    2.305600     -0.9850000      0.6880000    
 H  -0.2351000     -0.9994000      0.7189000    
 H  -0.2730000     -0.8221000      -1.028100    
 H    3.542000       1.345300     -0.8716000    
 H    3.483100       1.240300      0.8853000    
 H   -1.608900       1.287100     -0.7634000    
 H   -1.604900       1.051000      0.9815000    
 H    4.897100     -0.7402000     -0.9486000    
 H    4.783600     -0.8643000      0.7970000    
 H   -2.812400     -0.8925000      -1.060400    
 H   -2.813900      -1.125000      0.6895000    
 H    6.135400       1.211500       1.085800    
 H    6.174800       1.436300     -0.6850000    
 H   -4.120500       1.223300     -0.7865000    
 H   -4.105100       1.009700      0.9615000    
 H   -5.354200      -1.156600      0.6843000    
 H   -5.414100     -0.8783000      -1.053600    
 H   -6.653000      0.9450000       1.078200    
 H   -6.708000       1.237300     -0.6619000    
 H   -7.870500      -1.216000      0.7604000    
 H   -7.905800     -0.9479000     -0.9798000    
 H    6.601500      -1.942800      0.8749000    
 H    8.338700      -1.644400       1.106800    
 H    7.152800     -0.6899000       2.067700    
 H    8.535000       1.481900     -0.6248000    
 H    8.537200       1.197600       1.159400    
 H    9.441900      8.8600002E-02  5.5700000E-02
 H   -9.243100      0.8396000       1.110400    
 H   -9.262300       1.129500     -0.6264000    
 H   -10.49520      -1.014100     -0.9806000    
 H   -10.47650      -1.309100      0.7690000    
 H   -11.36690      7.6200001E-02  0.1122000    


%chk=000018739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018739

0 1
O 7.195709 -0.568658 -1.479040
N 7.397780 -0.088708 -0.148464
C 0.998538 0.550626 0.171752
C 2.303632 -0.276551 0.182254
C -0.277582 -0.318717 0.109496
C 3.576682 0.596341 0.255912
C -1.581928 0.510008 0.095313
C 4.875905 -0.241483 0.234522
C -2.859710 -0.357137 0.036919
C 6.122978 0.640035 0.358771
C -4.163103 0.473139 0.023680
C -5.441882 -0.392823 -0.031949
C -6.744976 0.438187 -0.042856
C -8.024201 -0.427319 -0.096105
C 7.742511 -1.259958 0.764618
C 8.551025 0.905509 -0.151122
C -9.327343 0.404505 -0.104181
C -10.599913 -0.468531 -0.157217
H 0.961803 1.189619 1.079280
H 1.011451 1.243570 -0.695453
H 2.347690 -0.907547 -0.729228
H 2.287049 -0.975689 1.044593
H -0.292527 -1.010468 0.977863
H -0.240605 -0.959150 -0.796513
H 3.586274 1.300129 -0.601859
H 3.536371 1.220184 1.174347
H -1.567729 1.199737 -0.774571
H -1.616950 1.152873 1.000034
H 4.974755 -0.780283 -0.728522
H 4.837391 -0.991899 1.049426
H -2.825569 -0.999475 -0.867994
H -2.873965 -1.047299 0.906542
H 6.300388 0.985617 1.396796
H 6.029404 1.514503 -0.308119
H -4.149453 1.162123 -0.846853
H -4.196040 1.116898 0.927803
H -5.454932 -1.082703 0.837917
H -5.410062 -1.035650 -0.936651
H -6.775943 1.082002 0.861315
H -6.732657 1.127150 -0.913484
H -8.037186 -1.117515 0.773562
H -7.995932 -1.069963 -1.001132
H 6.916466 -1.979729 0.692812
H 8.652812 -1.721719 0.355535
H 7.896573 -0.937473 1.811452
H 8.286352 1.696535 -0.867431
H 8.733406 1.327676 0.855464
H 9.437782 0.370398 -0.521059
H -9.354364 1.046303 0.800264
H -9.313355 1.093787 -0.973214
H -10.610797 -1.097127 -1.067817
H -10.652023 -1.145372 0.716603
H -11.517103 0.148993 -0.161808


