%chk=000064222.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064222

0 1
 O   0.5218000      -1.207400     -0.6133000    
 N  -0.3255000      0.6830000      0.4318000    
 N    4.482000      7.5199999E-02  0.2048000    
 C   -1.721700      0.3665000      0.2244000    
 C   -3.554900      -1.318600      0.6811000    
 C   -4.101300       1.141000      0.6071000    
 C   -3.503800     -8.1900001E-02  -1.515300    
 C   -2.071200     -0.9771000      0.9020000    
 C   -2.615400       1.472500      0.8282000    
 C   -2.020200      0.2547000      -1.286400    
 C   -4.425500     -0.2023000       1.282300    
 C   -3.831100      -1.418800     -0.8286000    
 C   -4.374600       1.028200     -0.9025000    
 C   0.6891000     -0.1485000     -1.4300000E-02
 C    2.059300      0.4101000      0.3272000    
 C    3.189200     -0.4926000     -0.1565000    
 C    4.653100       1.396600     -0.4023000    
 C    5.569600     -0.8155000     -0.2044000    
 C    5.968400       2.028800      2.0099999E-02
 C    5.412500      -2.194100      0.4146000    
 H   -3.791700      -2.272600       1.165300    
 H   -4.725100       1.931900       1.038100    
 H   -3.705100     -0.1580000      -2.589700    
 H   -1.859300     -0.9226000       1.978200    
 H   -1.469500      -1.806900      0.5169000    
 H   -2.379200       2.443100      0.3722000    
 H   -2.413900       1.580100       1.902200    
 H   -1.416900     -0.5172000      -1.775300    
 H   -1.772200       1.198400      -1.790500    
 H   -5.487400     -0.4422000       1.147800    
 H   -4.249600     -0.1307000       2.362600    
 H   -3.227400      -2.222900      -1.267300    
 H   -4.882500      -1.680100      -1.000300    
 H   -5.435600      0.8101000      -1.075500    
 H   -4.162000       1.985500      -1.394200    
 H  -8.6499996E-02   1.541200      0.9210000    
 H    2.077200       1.392900     -0.1539000    
 H    2.114700      0.5523000       1.413400    
 H    3.108900     -0.6532000      -1.240000    
 H    3.028500      -1.462500      0.3261000    
 H    4.590600       1.358900      -1.497000    
 H    3.894500       2.099600     -4.9699999E-02
 H    5.635400     -0.9077000      -1.295900    
 H    6.532400     -0.4382000      0.1552000    
 H    6.829600       1.580100     -0.4843000    
 H    5.969300       3.090900     -0.2507000    
 H    6.118900       1.969300       1.103600    
 H    6.347400      -2.754600      0.2991000    
 H    5.198900      -2.138100       1.487500    
 H    4.634900      -2.788000     -7.5599998E-02


%chk=000064222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064222

0 1
O 0.564842 -1.480453 -0.299306
N -0.327135 0.570020 0.381483
N 4.557314 0.121204 -0.072882
C -1.772196 0.263399 0.188259
C -3.730277 -1.192934 0.904412
C -4.099704 1.268118 0.419185
C -3.597098 -0.335424 -1.479655
C -2.211149 -0.929893 1.087838
C -2.578812 1.527329 0.598134
C -2.077392 -0.070199 -1.302535
C -4.528575 0.074133 1.315417
C -4.021177 -1.530673 -0.583464
C -4.396280 0.930665 -1.067837
C 0.722767 -0.300436 0.152350
C 2.113146 0.247496 0.507057
C 3.177695 -0.200273 -0.519042
C 4.918557 1.543910 -0.318880
C 5.567506 -0.830028 -0.613669
C 6.030195 2.055262 0.618111
C 5.550497 -2.192907 0.104392
H -4.029207 -2.045927 1.544846
H -4.658065 2.178065 0.715041
H -3.800241 -0.575941 -2.541724
H -1.987791 -0.686911 2.146177
H -1.620944 -1.822376 0.815062
H -2.266501 2.389529 -0.027528
H -2.362292 1.781374 1.656859
H -1.485978 -0.953546 -1.601820
H -1.758328 0.780480 -1.937900
H -5.616557 -0.106432 1.205676
H -4.340756 0.311374 2.382148
H -3.465437 -2.441979 -0.880087
H -5.100612 -1.743548 -0.720521
H -5.482676 0.758553 -1.204672
H -4.115578 1.784763 -1.716909
H -0.097021 1.500931 0.737366
H 2.093719 1.349979 0.611512
H 2.411357 -0.164993 1.490276
H 2.949434 0.245141 -1.519596
H 3.074185 -1.292335 -0.632146
H 5.216053 1.711001 -1.386451
H 4.012284 2.155893 -0.151494
H 5.435650 -0.980218 -1.715675
H 6.565607 -0.374879 -0.478016
H 6.975385 1.499760 0.479289
H 6.240002 3.124102 0.424296
H 5.720556 1.937856 1.671234
H 6.330127 -2.858757 -0.311273
H 5.739574 -2.054777 1.183247
H 4.578429 -2.705896 -0.007284


