%chk=000185576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185576

0 1
O 5.415554 2.576421 0.373254
N 4.337712 -1.252908 -0.719849
N -0.021651 1.320864 0.225990
N -1.794762 -2.383300 1.325786
C 4.741081 0.186538 -0.835884
C 3.687139 1.082260 -0.236555
C 4.469263 -1.734839 0.697020
C 5.122566 -2.112755 -1.667010
C -2.015272 -0.100593 0.359404
C 2.332099 0.764538 -0.278851
C 1.378061 1.632433 0.291489
C -0.581410 0.094283 0.594070
C 4.062461 2.307250 0.367103
C -2.574717 -1.367746 0.749827
C -4.220903 0.608914 -0.415693
C -2.854231 0.858515 -0.219518
C -4.773884 -0.652478 -0.018746
C 1.771587 2.842268 0.885297
C 3.594833 -2.972704 0.902175
C 4.635791 -1.896436 -3.100515
C -3.943776 -1.621322 0.556339
C 3.125565 3.186828 0.917241
C 0.149459 -0.926371 1.172908
C -5.092983 1.594811 -1.012110
C -6.185518 -0.888544 -0.228230
C -0.504790 -2.150308 1.514861
C -6.417746 1.333509 -1.192973
C -6.973759 0.067898 -0.792817
H 4.839367 0.444565 -1.918635
H 5.733858 0.403727 -0.375369
H 5.520473 -1.953300 0.982467
H 4.119746 -0.925927 1.377837
H 6.218057 -1.937506 -1.602255
H 4.953368 -3.176835 -1.383570
H 2.018182 -0.173405 -0.754894
H -0.642863 2.087481 -0.025048
H -2.449836 1.821936 -0.533077
H 1.035273 3.511263 1.327093
H 2.571990 -2.793352 0.540863
H 3.975232 -3.841211 0.352752
H 3.537842 -3.243002 1.961127
H 4.884114 -0.896866 -3.474517
H 5.079241 -2.630187 -3.781023
H 3.543095 -1.998242 -3.160786
H -4.345342 -2.589783 0.862657
H 3.438856 4.122443 1.371547
H 1.209453 -0.826780 1.389310
H -4.660100 2.547896 -1.311609
H -6.591932 -1.851528 0.079185
H 0.085596 -2.958526 1.968194
H -7.084251 2.068245 -1.641183
H -8.037765 -0.099325 -0.955328
H 5.616375 3.429890 0.828048


%chk=000185576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185576

0 1
O 5.448245 2.777387 0.167897
N 4.384656 -1.253318 -0.681626
N -0.005713 1.266954 0.433425
N -1.897255 -2.472848 1.402267
C 4.797885 0.171001 -0.687289
C 3.729319 1.112496 -0.139627
C 4.501082 -1.846686 0.680656
C 5.076753 -2.049662 -1.730906
C -2.009362 -0.157323 0.422145
C 2.374778 0.729358 -0.076271
C 1.376518 1.615592 0.405904
C -0.586341 0.027476 0.709098
C 4.083220 2.426743 0.268581
C -2.617979 -1.427014 0.816232
C -4.197175 0.609928 -0.448948
C -2.811749 0.815533 -0.217038
C -4.809573 -0.642540 -0.023015
C 1.752227 2.921227 0.812292
C 3.664414 -3.127040 0.865544
C 4.528456 -1.785409 -3.146289
C -3.999247 -1.628715 0.590292
C 3.099845 3.327975 0.733169
C 0.110428 -1.048909 1.283565
C -5.018301 1.598415 -1.098731
C -6.217831 -0.841273 -0.256534
C -0.585426 -2.255545 1.600648
C -6.375898 1.372054 -1.309093
C -6.982398 0.139377 -0.881609
H 5.018721 0.469089 -1.729937
H 5.746832 0.337406 -0.123715
H 5.570926 -2.051657 0.941916
H 4.144938 -1.084036 1.398289
H 6.182644 -1.873003 -1.712525
H 4.927648 -3.117819 -1.493677
H 2.128091 -0.272785 -0.439166
H -0.652590 2.048607 0.321965
H -2.375209 1.752288 -0.588661
H 0.996474 3.614608 1.199756
H 2.605775 -2.932767 0.617608
H 4.014852 -3.954786 0.223127
H 3.725198 -3.474323 1.913826
H 4.667635 -0.734086 -3.457906
H 5.049135 -2.422503 -3.885510
H 3.448395 -2.010209 -3.183481
H -4.422741 -2.588849 0.903470
H 3.380640 4.342129 1.045967
H 1.168610 -0.964508 1.538364
H -4.556514 2.538538 -1.424802
H -6.675903 -1.783344 0.066795
H -0.026483 -3.079708 2.062508
H -6.992156 2.131929 -1.802101
H -8.052208 -0.021413 -1.054591
H 5.599508 3.694668 0.505542


