%chk=000180739.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180739

0 1
N -1.941665 -0.738923 0.521279
N -3.967919 -1.102447 -1.879439
N -3.607775 0.746909 1.390707
N -6.035418 -0.109177 -1.869742
N -5.774727 1.099316 0.309703
C 2.574287 -0.139273 0.023593
C 1.359952 -0.651939 0.608249
C 0.303758 0.203232 0.925035
C 2.579505 1.176849 -0.454677
C 0.393604 1.591959 0.621460
C 1.514988 2.069554 -0.112034
C 3.727687 -1.049029 -0.061134
C -0.955459 -0.331058 1.563932
C 3.528067 -2.445860 0.071138
C 1.228374 -2.094217 0.788643
C 2.225629 -2.946737 0.474285
C 3.650160 1.672696 -1.374224
C -0.632459 2.523803 1.007240
C 1.549940 3.462146 -0.473834
C 5.059650 -0.593274 -0.202710
C 4.604931 -3.345177 -0.098666
C -0.556913 3.843174 0.658885
C 0.553436 4.321479 -0.102869
C 6.116470 -1.481945 -0.342960
C -3.167264 -0.081637 0.400640
C 5.887462 -2.869440 -0.323409
C -4.038112 -0.342416 -0.702620
C -5.351800 0.277061 -0.708737
C -5.195837 -0.926915 -2.541999
C -4.881581 1.280829 1.299849
H -0.751413 -1.235333 2.188083
H -1.398953 0.416842 2.270407
H 0.278083 -2.471196 1.173318
H 2.101056 -4.026689 0.558189
H 4.557201 1.963924 -0.819679
H 3.940350 0.901690 -2.105916
H 3.336940 2.549602 -1.960527
H -1.481130 2.154354 1.593700
H 2.401825 3.825827 -1.052051
H 5.275876 0.476361 -0.166849
H -1.508132 -1.051671 -0.347733
H 4.421023 -4.417037 -0.036351
H -1.334783 4.547764 0.952088
H 0.587083 5.375266 -0.374075
H 7.132481 -1.107271 -0.460440
H 6.718250 -3.558565 -0.462041
H -3.195604 -1.675153 -2.156117
H -5.423164 -1.402708 -3.489700
H -5.175860 1.931153 2.141607


%chk=000180739-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180739

0 1
N -2.015839 -0.610095 0.292892
N -4.345151 -0.952406 -1.876028
N -3.648537 0.645737 1.464225
N -6.415446 -0.028348 -1.554676
N -5.937736 1.014529 0.650702
C 2.688788 -0.150107 -0.000933
C 1.420879 -0.693759 0.495712
C 0.313036 0.158137 0.758738
C 2.723327 1.201544 -0.450467
C 0.409662 1.559888 0.474610
C 1.606371 2.071050 -0.173197
C 3.862076 -1.054371 -0.027468
C -0.983759 -0.398776 1.335378
C 3.666705 -2.478639 0.085386
C 1.295857 -2.139524 0.623256
C 2.342693 -2.992896 0.361882
C 3.843635 1.752745 -1.325568
C -0.671676 2.470338 0.754411
C 1.656642 3.473639 -0.497250
C 5.214403 -0.591707 -0.064661
C 4.777024 -3.370046 0.012677
C -0.581113 3.821768 0.428332
C 0.598103 4.330787 -0.200905
C 6.302740 -1.480849 -0.106755
C -3.295188 -0.094782 0.367001
C 6.087040 -2.883970 -0.103824
C -4.286615 -0.291581 -0.639504
C -5.586997 0.279419 -0.454764
C -5.641347 -0.757593 -2.370849
C -4.925747 1.147734 1.543940
H -0.805551 -1.344361 1.875273
H -1.430415 0.289395 2.069706
H 0.329671 -2.567464 0.904828
H 2.205496 -4.078947 0.424262
H 4.565179 2.382601 -0.768610
H 4.407983 0.945621 -1.815138
H 3.416687 2.383360 -2.124761
H -1.587425 2.099897 1.226007
H 2.556417 3.887578 -0.960250
H 5.423692 0.477011 -0.003040
H -1.718807 -1.083567 -0.560288
H 4.591201 -4.448587 0.081896
H -1.414042 4.496316 0.654175
H 0.669263 5.396568 -0.444565
H 7.323803 -1.084289 -0.125486
H 6.935501 -3.574747 -0.153321
H -3.605929 -1.477428 -2.340615
H -5.960916 -1.167636 -3.326918
H -5.143535 1.727513 2.446051


