%chk=000008709.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008709

0 1
 O    6.161400       2.391000      0.3058000    
 N    4.616300      0.1654000     -0.4457000    
 N    4.445100      -1.966700      0.3489000    
 C   0.1538000     -0.3081000      0.8243000    
 C   -1.055100     -0.5083000     -9.2200004E-02
 C    1.486400     -0.6469000      0.1521000    
 C   -2.356700     -0.1262000      0.6164000    
 C    2.694000     -0.4234000       1.055900    
 C   -3.570000     -0.3574000     -0.2860000    
 C    3.943600     -0.7566000      0.3120000    
 C   -4.867900      5.5700000E-02  0.4100000    
 C    5.684100     -0.4917000      -1.153700    
 C   -6.078400     -0.1447000     -0.5050000    
 C    5.677300      -1.874200     -0.4888000    
 C    4.209100       1.505300     -0.7773000    
 C   -7.371500      0.3009000      0.1815000    
 C   -8.611700      0.1435000     -0.7010000    
 C    4.743100       2.481600      0.2569000    
 C   -9.902700      0.5609000     -1.4200000E-02
 H   3.6300000E-02 -0.9283000       1.721500    
 H   0.1809000      0.7356000       1.161600    
 H   -1.100900      -1.556400     -0.4115000    
 H  -0.9357000      0.1009000     -0.9962000    
 H    1.465600      -1.696100     -0.1706000    
 H    1.584000     -5.5000000E-02 -0.7654000    
 H   -2.314700      0.9283000      0.9150000    
 H   -2.464900     -0.7180000       1.533500    
 H    2.724900      0.6099000       1.411500    
 H    2.625300      -1.069300       1.939000    
 H   -3.451800      0.2180000      -1.212300    
 H   -3.623900      -1.416100     -0.5675000    
 H   -4.997600     -0.5319000       1.326900    
 H   -4.804400       1.109600      0.7073000    
 H    5.454500     -0.5752000      -2.221400    
 H    6.648100      1.0100000E-02  -1.030100    
 H   -5.940700      0.4287000      -1.429600    
 H   -6.157600      -1.201300     -0.7877000    
 H    5.682500      -2.672100      -1.238200    
 H    6.554300      -2.001900      0.1554000    
 H    4.611000       1.773000      -1.762300    
 H    3.121400       1.593800     -0.8490000    
 H   -7.279400       1.352000      0.4823000    
 H   -7.510100     -0.2803000       1.101600    
 H   -8.702200     -0.9030000      -1.015900    
 H   -8.486300      0.7396000      -1.612700    
 H    4.468600       3.506400     -1.2100000E-02
 H    4.353100       2.264200       1.255700    
 H   -9.863700       1.613700      0.2827000    
 H   -10.08070     -4.2199999E-02  0.8816000    
 H   -10.75340      0.4280000     -0.6898000    
 H    6.465400       3.032800      0.9701000    


%chk=000008709-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008709

0 1
O 6.473305 2.459535 -0.119892
N 4.624058 0.078489 -0.594294
N 4.613130 -1.929092 0.557508
C 0.145533 -0.268728 0.803341
C -1.087339 -0.377487 -0.122199
C 1.478819 -0.548164 0.075193
C -2.424633 -0.127362 0.610974
C 2.706559 -0.405541 1.016760
C -3.656883 -0.208376 -0.318241
C 4.013400 -0.769649 0.350131
C -4.995030 0.028748 0.417549
C 5.911374 -0.540621 -1.024415
C -6.226288 -0.034897 -0.514570
C 5.819493 -1.953181 -0.346288
C 4.341604 1.499472 -0.781884
C -7.565210 0.198281 0.221149
C -8.795229 0.141922 -0.713828
C 5.037486 2.453610 0.208847
C -10.128834 0.375988 0.028432
H 0.035559 -0.981189 1.647036
H 0.175193 0.745813 1.254849
H -1.107594 -1.384713 -0.588025
H -0.985036 0.348120 -0.956353
H 1.471866 -1.575343 -0.338246
H 1.577571 0.136777 -0.791714
H -2.396557 0.871945 1.094441
H -2.535479 -0.866086 1.432110
H 2.742064 0.626285 1.421909
H 2.587314 -1.091208 1.873096
H -3.549817 0.537424 -1.133760
H -3.680586 -1.203684 -0.809562
H -5.107685 -0.724538 1.225256
H -4.966847 1.019028 0.919082
H 5.966971 -0.597238 -2.127922
H 6.763927 0.061442 -0.662092
H -6.114533 0.720916 -1.320238
H -6.253256 -1.023709 -1.018929
H 5.685928 -2.758742 -1.093175
H 6.721200 -2.193989 0.244348
H 4.641633 1.796208 -1.805133
H 3.250406 1.663799 -0.705376
H -7.538175 1.185036 0.729659
H -7.681321 -0.560530 1.023299
H -8.821245 -0.844210 -1.221270
H -8.677460 0.899946 -1.515132
H 4.604867 3.472163 0.092736
H 4.867052 2.106442 1.250086
H -10.141785 1.368988 0.516523
H -10.281917 -0.385586 0.816456
H -10.991930 0.327127 -0.660946
H 6.962456 3.027958 0.526015


