%chk=000055231.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055231

0 1
 O    1.168500      -1.742400      0.7307000    
 N  -0.5038000     -9.9200003E-02  0.3581000    
 N   -4.561400      -1.539800      0.5148000    
 C   -2.276400      -1.653700     -0.4611000    
 C   -1.653500     -0.8845000      0.7168000    
 C   -3.560000      -2.416300     -8.3200000E-02
 C   -1.265800      -2.616200      -1.094600    
 C  -0.7182000       1.314300      4.0500000E-02
 C   0.8358000     -0.6024000      0.3956000    
 C  -0.7400000       2.199000       1.077600    
 C  -0.8811000       1.649900      -1.270800    
 C    1.900800      0.3843000     -7.1999997E-02
 C   -5.775800      -2.290500      0.8370000    
 C   -4.874700     -0.4279000     -0.3841000    
 C  -0.9438000       3.545400      0.7751000    
 C   -1.084800       2.996300      -1.573500    
 C  -0.5589000       1.803100       2.507300    
 C  -0.8528000      0.6584000      -2.388700    
 C    3.299000     -0.1844000     -4.0800001E-02
 C   -1.116200       3.943900     -0.5505000    
 C    4.062700     -4.7200002E-02   1.107500    
 C    3.793700     -0.8327000      -1.161200    
 C    5.354700     -0.5722000       1.136200    
 C    5.085700      -1.357800      -1.132600    
 C    5.866200      -1.227400      1.6100001E-02
 H   -2.539100     -0.9506000      -1.249400    
 H   -1.341400      -1.606100       1.482600    
 H   -2.390800     -0.2307000       1.194000    
 H   -3.298300      -3.205500      0.6338000    
 H   -3.961700      -2.916300     -0.9753000    
 H  -0.9469000      -3.374500     -0.3706000    
 H   -1.723600      -3.144100      -1.939100    
 H  -0.3714000      -2.128600      -1.479400    
 H    1.883300       1.277900      0.5616000    
 H    1.692200      0.7074000      -1.096400    
 H   -6.249700      -2.715000     -5.5599999E-02
 H   -6.504500      -1.646500       1.341700    
 H   -5.549800      -3.108700       1.530000    
 H   -4.059100      0.2980000     -0.4535000    
 H   -5.725000      0.1454000      5.5999998E-03
 H   -5.140800     -0.7678000      -1.391900    
 H  -0.9725000       4.296900       1.559700    
 H   -1.223000       3.320900      -2.601500    
 H   0.3539000       1.214700       2.642800    
 H   -1.418800       1.224800       2.858900    
 H  -0.4666000       2.679100       3.159100    
 H  -0.4114000       1.126600      -3.278200    
 H   -1.863200      0.3525000      -2.667700    
 H  -0.2213000     -0.2043000      -2.193300    
 H   -1.275700       4.992000     -0.7860000    
 H    3.672200      0.4592000       1.985600    
 H    3.192500     -0.9415000      -2.059400    
 H    5.962200     -0.4714000       2.030800    
 H    5.483700      -1.868800      -2.004500    
 H    6.872000      -1.636500      3.8500000E-02


%chk=000055231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055231

0 1
O 1.073207 -2.423847 -1.351300
N -0.206318 -0.604178 -0.646916
N -4.046114 -1.280182 0.997749
C -2.549652 -1.560018 -1.044179
C -1.285609 -1.505060 -0.150448
C -3.744969 -2.089871 -0.208967
C -2.349924 -2.446086 -2.293901
C -0.393492 0.824630 -0.460918
C 0.958789 -1.168768 -1.171714
C -0.295483 1.375638 0.853050
C -0.707812 1.648752 -1.585350
C 2.151268 -0.236657 -1.450455
C -4.926088 -2.002617 1.940322
C -4.569364 0.066155 0.683248
C -0.523826 2.764284 1.021518
C -0.926838 3.032130 -1.370585
C 0.052186 0.520623 2.057626
C -0.781474 1.088404 -2.994902
C 3.090930 -0.162425 -0.244149
C -0.840560 3.590019 -0.077133
C 3.382519 1.080785 0.371004
C 3.691004 -1.341309 0.271524
C 4.262374 1.149210 1.476097
C 4.567579 -1.273564 1.376768
C 4.858602 -0.028103 1.982823
H -2.786478 -0.528170 -1.373920
H -0.843250 -2.513789 -0.064994
H -1.600757 -1.161432 0.850174
H -3.505171 -3.117374 0.131548
H -4.639470 -2.172754 -0.881061
H -2.211277 -3.504621 -2.003442
H -3.220499 -2.386780 -2.974512
H -1.446329 -2.151339 -2.856171
H 1.829550 0.779105 -1.729537
H 2.681313 -0.684512 -2.310083
H -5.941620 -2.220969 1.521586
H -5.060410 -1.403506 2.858987
H -4.460267 -2.963565 2.222746
H -3.825168 0.648924 0.114413
H -4.769918 0.610106 1.623438
H -5.519095 0.037477 0.089909
H -0.442775 3.195716 2.026325
H -1.169898 3.671292 -2.227680
H 0.723009 -0.311664 1.787047
H -0.856312 0.082035 2.514584
H 0.553580 1.126413 2.831705
H 0.227418 0.913942 -3.417170
H -1.301451 1.791853 -3.667321
H -1.306453 0.119903 -3.027335
H -1.015353 4.661428 0.071839
H 2.917963 1.996864 -0.014261
H 3.456373 -2.305107 -0.194935
H 4.481410 2.118736 1.938273
H 5.025777 -2.190984 1.763985
H 5.541925 0.023326 2.838153


