%chk=000181922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181922

0 1
O -0.000006 -2.697530 -0.000387
N 5.845449 0.919889 0.002137
N -5.845440 0.919936 -0.002312
N 5.283022 -1.408369 -0.004463
N -5.283043 -1.408334 0.005518
C 0.739225 0.781176 -0.000358
C -0.739218 0.781186 -0.000183
C 1.191112 -0.571979 -0.000555
C -1.191119 -0.571974 -0.000191
C -0.000005 -1.497845 -0.000908
C 1.648745 1.822659 -0.000192
C -1.648728 1.822664 0.000188
C 2.534959 -0.879476 -0.000587
C -2.534964 -0.879466 0.000228
C 3.473864 0.187370 -0.000342
C -3.473869 0.187392 0.000452
C 3.022893 1.511139 -0.000221
C -3.022888 1.511149 0.000538
C 4.931839 -0.158240 -0.000450
C -4.931848 -0.158211 0.000756
H 2.877917 -1.923805 -0.000869
H -2.877941 -1.923790 0.000215
H 1.320352 2.859412 -0.000028
H -1.320343 2.859423 0.000341
H 3.734722 2.338728 -0.000203
H -3.734698 2.338752 0.001063
H 6.834710 0.756298 0.003062
H 5.551736 1.876657 0.007039
H -6.834705 0.756360 -0.003194
H -5.551711 1.876697 -0.007869
H 6.263294 -1.668144 -0.005349
H -6.263314 -1.668123 0.006625


%chk=000181922-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181922

0 1
O -0.000236 -2.721897 -0.003034
N 5.849411 0.829016 0.331236
N -5.848595 0.828630 -0.335623
N 5.306963 -1.353396 -0.573820
N -5.308031 -1.350668 0.578992
C 0.741551 0.810672 -0.019088
C -0.741728 0.810647 0.020684
C 1.196892 -0.544938 -0.034765
C -1.197034 -0.544944 0.033803
C -0.000086 -1.461943 -0.001238
C 1.676519 1.858652 -0.049192
C -1.676586 1.858727 0.052863
C 2.556672 -0.866515 -0.073911
C -2.556906 -0.866589 0.072466
C 3.511178 0.191108 -0.087698
C -3.511155 0.191045 0.087978
C 3.058410 1.537956 -0.081857
C -3.058422 1.538064 0.084869
C 4.969106 -0.161513 -0.121903
C -4.969319 -0.161096 0.122026
H 2.910665 -1.901101 -0.101819
H -2.910481 -1.901364 0.098721
H 1.359001 2.906953 -0.056894
H -1.358820 2.906939 0.062854
H 3.783413 2.357688 -0.148538
H -3.784194 2.356874 0.153499
H 6.854153 0.669767 0.296315
H 5.516911 1.642471 0.844267
H -6.853549 0.670547 -0.300707
H -5.514584 1.636896 -0.855926
H 6.330734 -1.538975 -0.542654
H -6.331856 -1.536114 0.547596


