%chk=000048718.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048718

0 1
 O    5.154800      -1.852800      -1.395000    
 N  -0.2735000     -0.1950000     -8.3300002E-02
 N   -8.097200     -2.4000000E-02 -0.4981000    
 C    1.439700      0.9982000      0.1716000    
 C   0.5637000      0.5916000      -1.021900    
 C   0.1918000      0.6914000       1.011400    
 C    1.865200       2.460400      0.1789000    
 C    2.697700      0.1549000      0.4429000    
 C   -1.686500      3.1099999E-02 -0.3533000    
 C    2.888900       2.718300     -0.9241000    
 C   -2.563100     -0.8096000      0.5755000    
 C    3.368300     -0.4779000     -0.6113000    
 C    3.185600      1.0800000E-02   1.747700    
 C    3.361000       4.162900     -0.9219000    
 C    4.508500      -1.242300     -0.3647000    
 C   -4.029400     -0.6016000      0.2910000    
 C    4.325900     -0.7536000       1.994500    
 C    4.987400      -1.380200      0.9382000    
 C   -4.716900      0.3997000      0.9598000    
 C   -4.665700      -1.415000     -0.6343000    
 C   -6.073400      0.5921000      0.6970000    
 C   -6.022000      -1.222500     -0.8972000    
 C   -6.725800     -0.2190000     -0.2315000    
 C    6.315000      -2.618000      -1.071900    
 H   0.9916000     -8.2000000E-03  -1.828300    
 H   5.1399998E-02   1.437100      -1.505000    
 H   0.3468000      0.1701000       1.961800    
 H  -0.4364000       1.567900       1.222600    
 H    2.280900       2.743100       1.154700    
 H   0.9977000       3.114400      1.9400001E-02
 H   -1.894700     -0.2753000      -1.387800    
 H   -1.969800       1.091400     -0.2935000    
 H    2.464000       2.480300      -1.906000    
 H    3.786900       2.107000     -0.8039000    
 H   -2.360600     -0.5614000       1.625800    
 H   -2.317800      -1.875000      0.4702000    
 H    3.038700     -0.3704000      -1.639800    
 H    2.687600      0.4979000       2.581900    
 H    4.091400       4.325500      -1.720700    
 H    3.836500       4.419600      3.0200001E-02
 H    2.523500       4.848900      -1.084100    
 H    4.699100     -0.8588000       3.009100    
 H    5.867000      -1.958000       1.200600    
 H   -4.217000       1.037800       1.682900    
 H   -4.125600      -2.197900      -1.159200    
 H   -6.610700       1.378000       1.221700    
 H   -6.519000      -1.860700      -1.623400    
 H    6.700800      -3.031400      -2.009500    
 H    7.106700      -1.989800     -0.6499000    
 H    6.069500      -3.467200     -0.4252000    
 H   -8.608400      0.7027000     -1.4900000E-02
 H   -8.570800     -0.6125000      -1.170300    


%chk=000048718-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048718

0 1
O 5.241643 -1.949793 -1.407676
N -0.312586 -0.095053 -0.171576
N -8.265843 -0.097927 -0.510697
C 1.552285 0.975321 0.135172
C 0.667392 0.565703 -1.102841
C 0.286027 0.618209 1.011140
C 1.953452 2.475786 0.173999
C 2.761896 0.083705 0.425734
C -1.750949 0.068786 -0.436332
C 2.956547 2.895368 -0.924969
C -2.608402 -0.704377 0.598960
C 3.478230 -0.572887 -0.595657
C 3.226911 -0.036746 1.766448
C 3.290359 4.401590 -0.870448
C 4.626530 -1.347332 -0.294668
C -4.099429 -0.562552 0.336543
C 4.368854 -0.805490 2.061328
C 5.084062 -1.472738 1.038189
C -4.854903 0.493669 0.907555
C -4.780909 -1.457912 -0.527830
C -6.228174 0.656247 0.634614
C -6.152972 -1.313068 -0.814287
C -6.902124 -0.248066 -0.235750
C 6.428718 -2.769374 -1.160094
H 1.095191 -0.113249 -1.860267
H 0.251769 1.464978 -1.615280
H 0.445306 -0.018877 1.898321
H -0.284918 1.531088 1.306805
H 2.386251 2.708316 1.169154
H 1.034336 3.089670 0.076598
H -1.963188 -0.322834 -1.450225
H -2.058395 1.148261 -0.431389
H 2.534731 2.646159 -1.920394
H 3.885595 2.303124 -0.822584
H -2.360983 -0.329097 1.611814
H -2.297919 -1.765337 0.565467
H 3.170477 -0.508309 -1.643448
H 2.689262 0.469324 2.576595
H 4.012066 4.682862 -1.659215
H 3.734897 4.673361 0.105826
H 2.381843 5.018501 -1.007926
H 4.712849 -0.894437 3.098280
H 5.966556 -2.068874 1.287788
H -4.360342 1.200018 1.587085
H -4.226963 -2.290392 -0.980821
H -6.786403 1.480131 1.097409
H -6.652415 -2.026603 -1.482057
H 6.738387 -3.133597 -2.150897
H 7.246273 -2.172020 -0.710471
H 6.195696 -3.630121 -0.502881
H -8.800611 0.657635 -0.093727
H -8.746661 -0.745748 -1.127020


