%chk=000068954.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068954

0 1
 O   -1.031900      -2.446100      -1.506600    
 N   -4.004800       1.146800      1.6799999E-02
 N  -0.3939000     -0.3994000      -2.259800    
 C  -0.5896000     -0.7261000      0.2055000    
 C  -0.2051000      -1.870800       1.242800    
 C   -2.064400     -0.2683000      0.5354000    
 C   0.4511000      0.4229000      0.2971000    
 C   -2.646500      0.8065000     -0.3993000    
 C  -0.6706000      -1.296400      -1.250100    
 C   -1.125600      -3.102200       1.211000    
 C  -8.9800000E-02  -1.396400       2.702100    
 C    1.770100      0.1846000     -1.4300000E-02
 C  -4.9199998E-02   1.634400      0.6982000    
 C    2.668700       1.273200      8.9100003E-02
 C   0.8344000       2.704900      0.7994000    
 C    2.254000      -1.068900     -0.4227000    
 C    2.184800       2.526900      0.4972000    
 C   -4.878700     -2.2600001E-02 -7.9400003E-02
 C   -4.530300       2.244100     -0.7956000    
 C    4.024600       1.076100     -0.2191000    
 C    3.604400      -1.246700     -0.7247000    
 C    4.488100     -0.1763000     -0.6230000    
 H   0.7751000      -2.294200       1.034100    
 H   -2.155200      5.9200000E-02   1.578000    
 H   -2.692700      -1.156000      0.4353000    
 H   -2.695800      0.4049000      -1.419500    
 H   -2.069400       1.722800     -0.4994000    
 H   -2.176100      -2.866300       1.392700    
 H   -1.037300      -3.693700      0.3000000    
 H  -0.8361000      -3.793500       2.013800    
 H   -1.056900      -1.085300       3.107700    
 H   0.6133000     -0.5656000       2.808900    
 H   0.2815000      -2.206600       3.340500    
 H   -1.027200       1.826500       1.111900    
 H   0.4822000       3.670900       1.150000    
 H    1.639200      -1.936100     -0.6197000    
 H  -0.1666000      0.5758000      -2.100600    
 H  -0.4431000     -0.6901000      -3.230700    
 H    2.859100       3.375600      0.5915000    
 H   -4.814900     -0.5212000      -1.053500    
 H   -5.925000      0.2724000      6.9700003E-02
 H   -4.682200     -0.7492000      0.7149000    
 H   -4.589300       1.981100      -1.858100    
 H   -3.902200       3.136300     -0.6943000    
 H   -5.531700       2.530900     -0.4554000    
 H    4.732900       1.898900     -0.1479000    
 H    3.963700      -2.215800      -1.059000    
 H    5.538400     -0.3143000     -0.8630000    


%chk=000068954-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068954

0 1
O -0.707779 -2.788417 -1.581454
N -3.832640 1.251224 -0.085627
N -0.302775 -0.663089 -2.371129
C -0.629121 -0.934146 0.097124
C -0.228737 -2.021353 1.202809
C -2.147710 -0.572005 0.282874
C 0.305253 0.297230 0.249031
C -2.767321 0.432963 -0.722081
C -0.529181 -1.554884 -1.338546
C -1.242638 -3.183589 1.370561
C 0.034428 -1.375074 2.587079
C 1.731225 0.212894 -0.044620
C -0.191767 1.502746 0.772864
C 2.578586 1.367335 0.213145
C 0.645399 2.632536 1.019810
C 2.370332 -0.961860 -0.577926
C 2.009020 2.569048 0.746797
C -4.997976 0.447394 0.342357
C -4.243764 2.379392 -0.948097
C 3.985668 1.299556 -0.061933
C 3.742564 -0.999449 -0.834074
C 4.565286 0.139598 -0.574192
H 0.721191 -2.475339 0.861738
H -2.287616 -0.165784 1.302291
H -2.708470 -1.519809 0.236132
H -3.148284 -0.117043 -1.619536
H -2.000792 1.138823 -1.088558
H -2.155835 -2.858375 1.903070
H -1.518063 -3.619066 0.397914
H -0.775947 -3.976793 1.985112
H -0.846279 -0.809209 2.946718
H 0.896665 -0.687502 2.577956
H 0.240661 -2.169966 3.327534
H -1.254248 1.596609 1.016774
H 0.201802 3.545491 1.431819
H 1.779031 -1.852031 -0.804162
H -0.053244 0.308653 -2.192939
H -0.266252 -1.028777 -3.322772
H 2.663242 3.428055 0.937793
H -5.517459 -0.056827 -0.512528
H -5.729218 1.100127 0.851922
H -4.684138 -0.331023 1.057670
H -4.712340 2.054980 -1.912351
H -3.364397 3.003570 -1.188872
H -4.975030 3.010228 -0.411259
H 4.599799 2.185104 0.141948
H 4.191839 -1.912001 -1.241055
H 5.640532 0.097454 -0.779232


