%chk=000043403.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043403

0 1
 N   -3.417100     -0.6082000     -0.6433000    
 N   0.3451000     -0.1639000     -0.6586000    
 C   -2.059300     -0.3420000     -0.1147000    
 C   -2.014800       1.035700      0.5769000    
 C  -0.9832000     -0.3617000      -1.209700    
 C   -3.066100       1.156300       1.672700    
 C   -4.426600     -0.5491000      0.4285000    
 C   -4.440500      0.8119000       1.120500    
 C    1.169800      -1.176600     -0.2325000    
 C   0.9454000       1.060900     -0.4945000    
 C   -3.511700      -1.904100      -1.321500    
 C    2.346700     -0.5836000      0.2251000    
 C    2.205100      0.8308000      5.9200000E-02
 C   0.9642000      -2.560900     -0.2175000    
 C   0.4724000       2.344000     -0.7922000    
 C    3.371400      -1.415500      0.7237000    
 C    3.035500       1.938500      0.3299000    
 C    1.993600      -3.363800      0.2811000    
 C    1.313500       3.425200     -0.5157000    
 C    3.180300      -2.801700      0.7453000    
 C    2.576500       3.227800      3.7200000E-02
 H   -1.814200      -1.107300      0.6362000    
 H   -2.197200       1.834200     -0.1503000    
 H   -1.060500       1.208100       1.078000    
 H   -1.163500      0.4104000      -1.966800    
 H  -0.9568000      -1.311700      -1.751600    
 H   -3.069400       2.172300       2.082700    
 H   -2.819500      0.4760000       2.497300    
 H   -4.249400      -1.338400       1.171200    
 H   -5.425300     -0.7188000      7.3000002E-03
 H   -5.175400      0.8069000       1.933400    
 H   -4.756100       1.585000      0.4085000    
 H   -2.937500      -1.911500      -2.252600    
 H   -4.546600      -2.111200      -1.619300    
 H   -3.170100      -2.728500     -0.6856000    
 H   4.2599998E-02  -3.011000     -0.5706000    
 H  -0.4859000       2.519600      -1.265700    
 H    4.302600     -0.9920000       1.089300    
 H    4.023400       1.800700      0.7602000    
 H    1.864300      -4.442700      0.3079000    
 H   0.9802000       4.433900     -0.7458000    
 H    3.967500      -3.445100       1.129100    
 H    3.215000       4.083100      0.2417000    


%chk=000043403-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043403

0 1
N -3.462589 -0.542409 -0.684687
N 0.329738 -0.065810 -0.637552
C -2.114088 -0.385401 -0.059788
C -2.088539 0.861343 0.854776
C -1.023222 -0.271239 -1.165744
C -3.191213 0.809436 1.931770
C -4.536165 -0.624654 0.347511
C -4.564589 0.616925 1.255728
C 1.151659 -1.085729 -0.118028
C 1.041676 1.151424 -0.591166
C -3.559951 -1.699958 -1.605326
C 2.414513 -0.517357 0.271702
C 2.345061 0.906823 -0.030703
C 0.882399 -2.464928 0.025086
C 0.645647 2.442165 -1.004938
C 3.414722 -1.353173 0.820177
C 3.255285 1.979555 0.113826
C 1.899338 -3.279064 0.569379
C 1.574083 3.494903 -0.855201
C 3.151954 -2.731999 0.966816
C 2.865693 3.270748 -0.300465
H -1.877588 -1.285800 0.571054
H -2.237382 1.760583 0.224092
H -1.090922 0.943916 1.322024
H -1.286536 0.570852 -1.830340
H -1.003232 -1.186190 -1.784507
H -3.176897 1.733580 2.539607
H -2.997034 -0.035727 2.624278
H -4.405665 -1.539490 0.985865
H -5.502685 -0.729930 -0.180316
H -5.366160 0.499937 2.010196
H -4.806440 1.506152 0.642090
H -2.941891 -1.549175 -2.505923
H -4.606724 -1.800771 -1.941971
H -3.259105 -2.668268 -1.128444
H -0.079060 -2.897637 -0.270791
H -0.346790 2.633464 -1.425295
H 4.382217 -0.938534 1.124916
H 4.250901 1.811048 0.539487
H 1.718806 -4.353190 0.691135
H 1.291693 4.506008 -1.169809
H 3.917320 -3.391733 1.389660
H 3.560162 4.111302 -0.195786


