%chk=000026616.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026616

0 1
 O    2.969400      -1.423500     -0.9967000    
 N   -4.306900      0.7217000      0.3380000    
 N    6.191200     -0.2270000      0.3300000    
 C   -2.444900     -0.4226000     -4.9600001E-02
 C   -3.522400      -1.346800      4.9699999E-02
 C   -2.958600      0.8407000      0.1320000    
 C   -4.679000     -0.6030000      0.2931000    
 C   -1.051900     -0.6805000     -0.2933000    
 C    5.221300     -0.6785000     -0.6565000    
 C   -2.315400       2.135700      0.1319000    
 C   -3.624900      -2.748800     -4.4599999E-02
 C    7.459100      0.1256000     -0.3136000    
 C    6.411100      -1.255800       1.349500    
 C    3.892200      -1.002800      6.8999999E-03
 C   -5.938100      -1.193700      0.4476000    
 C  -0.1870000     -0.8998000      0.7779000    
 C  -0.5682000     -0.7108000      -1.600400    
 C    1.650100      -1.180500     -0.7659000    
 C   -4.878000      -3.353500      0.1077000    
 C    1.164800      -1.149800      0.5413000    
 C   0.7837000     -0.9610000      -1.836800    
 C   -6.015500      -2.585900      0.3500000    
 C   -1.816400       2.662100       1.321400    
 C   -2.195400       2.852000      -1.057000    
 C    7.230800       1.190600      -1.368900    
 C    7.370400     -0.7457000       2.407700    
 C   -1.194700       3.910700       1.322000    
 C   -1.573700       4.100700      -1.056500    
 C   -1.073300       4.630000      0.1330000    
 H   -4.942300       1.491200      0.5002000    
 H    5.580000      -1.552900      -1.216200    
 H    4.998900      9.3000002E-02  -1.401800    
 H   -2.748100      -3.361900     -0.2331000    
 H    8.154800      0.5661000      0.4076000    
 H    7.949900     -0.7460000     -0.7642000    
 H    5.492600      -1.479500       1.898200    
 H    6.784100      -2.193600      0.9199000    
 H    3.537800     -0.1058000      0.5323000    
 H    3.968400      -1.839700      0.7056000    
 H   -6.824200     -0.5969000      0.6361000    
 H  -0.5509000     -0.8851000       1.802600    
 H   -1.230200     -0.5415000      -2.446300    
 H   -4.963100      -4.434500      3.5799999E-02
 H    1.798300      -1.342400       1.402000    
 H    1.156200     -0.9830000      -2.857300    
 H   -6.978800      -3.076300      0.4651000    
 H   -1.902400       2.113400       2.256200    
 H   -2.579500       2.452500      -1.992600    
 H    6.788900      0.7878000      -2.285700    
 H    6.606300       2.010800     -0.9979000    
 H    8.193800       1.626100      -1.660100    
 H    8.409700     -0.7382000       2.065200    
 H    7.101200      0.2575000       2.756400    
 H    7.339700      -1.409500       3.279600    
 H  -0.8047000       4.322800       2.248100    
 H   -1.478800       4.660600      -1.982300    
 H  -0.5890000       5.602100      0.1334000    


%chk=000026616-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026616

0 1
O 3.044551 -1.215438 -1.137317
N -4.506548 0.668391 0.588818
N 6.552902 -0.730129 0.043141
C -2.503112 -0.256599 -0.024068
C -3.515114 -1.303758 0.019922
C -3.149335 0.949540 0.321222
C -4.761604 -0.690630 0.397007
C -1.062378 -0.468096 -0.292621
C 5.443723 -1.118529 -0.863609
C -2.669811 2.341843 0.400227
C -3.480137 -2.709583 -0.185513
C 7.759556 -0.230099 -0.665872
C 6.851393 -1.773878 1.061486
C 4.102877 -0.668753 -0.268295
C -5.960495 -1.424495 0.530865
C -0.058351 0.087697 0.543473
C -0.635955 -1.270524 -1.391261
C 1.712083 -0.928071 -0.801698
C -4.670124 -3.449482 -0.048092
C 1.314713 -0.128474 0.299678
C 0.727785 -1.498476 -1.646844
C -5.899800 -2.813504 0.298258
C -3.214540 3.240502 1.362853
C -1.686615 2.835509 -0.503319
C 7.566141 1.182516 -1.249176
C 7.473525 -1.202962 2.350164
C -2.792973 4.586517 1.417878
C -1.262167 4.178102 -0.441240
C -1.813413 5.063095 0.516520
H -5.211243 1.386427 0.745196
H 5.409691 -2.216331 -1.051405
H 5.574250 -0.632706 -1.846439
H -2.539545 -3.210565 -0.436968
H 8.587523 -0.196623 0.065267
H 8.081201 -0.933457 -1.475642
H 5.897257 -2.269545 1.322210
H 7.514359 -2.572326 0.641428
H 4.050099 0.437233 -0.240534
H 3.978580 -1.056569 0.763775
H -6.902801 -0.941111 0.812310
H -0.358509 0.693709 1.405042
H -1.386533 -1.696442 -2.066361
H -4.656158 -4.533590 -0.206310
H 2.054374 0.316997 0.971297
H 1.053041 -2.108934 -2.495030
H -6.809736 -3.416650 0.393056
H -3.942796 2.875037 2.097615
H -1.268468 2.163518 -1.258722
H 6.754576 1.210636 -1.999023
H 7.310378 1.893262 -0.444124
H 8.492227 1.526038 -1.746974
H 8.445596 -0.713285 2.159062
H 6.798315 -0.453229 2.798147
H 7.646371 -2.010822 3.085657
H -3.220214 5.258949 2.170421
H -0.506583 4.538100 -1.148470
H -1.483633 6.106944 0.559633


