%chk=000298975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298975

0 1
O 5.237542 1.149895 0.221041
N 3.400490 -0.995372 -0.224120
N -2.296909 -3.340845 1.525180
C -2.006888 -1.282940 -0.091552
C -0.886108 -1.691553 -1.089698
C -3.383431 -1.097065 -0.833734
C 0.495337 -1.782431 -0.432734
C -1.629643 0.000644 0.657425
C 1.568784 -2.194506 -1.447599
C 2.959766 -2.309583 -0.798773
C -3.836780 -2.380934 -1.534908
C -4.464510 -0.608934 0.133202
C -1.384467 1.242381 -0.040676
C -2.165596 -2.422395 0.836399
C 4.616754 -1.184525 0.635621
C 3.696693 0.005611 -1.300975
C -1.517216 -0.023090 2.031617
C -1.028814 2.396349 0.711602
C 4.993136 0.172152 1.252909
C 4.092371 1.333945 -0.637618
C -1.162580 1.136576 2.776501
C -1.478084 1.391234 -1.462213
C -0.921534 2.321943 2.136128
C -0.777176 3.639155 0.045044
C -1.234444 2.590081 -2.082982
C -0.876482 3.736487 -1.318844
H -0.856467 -0.963379 -1.926266
H -1.147140 -2.665414 -1.551839
H -3.230122 -0.310519 -1.618722
H 0.477154 -2.499743 0.410529
H 0.776365 -0.806618 0.021110
H 1.310142 -3.170454 -1.902756
H 1.597531 -1.465632 -2.281151
H 2.909821 -3.043863 0.036873
H 3.679280 -2.720355 -1.540026
H -4.747788 -2.203890 -2.119168
H -4.071274 -3.181692 -0.821621
H -3.078344 -2.768508 -2.223359
H -5.419516 -0.461199 -0.383738
H -4.644867 -1.323588 0.945299
H -4.194691 0.349042 0.595625
H 4.366915 -1.905337 1.442915
H 5.484346 -1.597030 0.077693
H 4.500515 -0.325419 -1.992449
H 2.775181 0.148797 -1.906252
H -1.692444 -0.932929 2.608768
H 4.199909 0.549065 1.922770
H 5.961150 0.137122 1.781433
H 4.460110 2.074329 -1.368227
H 3.262656 1.756359 -0.043119
H -1.086484 1.055203 3.860509
H -1.753653 0.517792 -2.063812
H -0.646401 3.217220 2.691218
H -0.505159 4.505093 0.647819
H -1.311789 2.683965 -3.164892
H -0.687447 4.677201 -1.832709


%chk=000298975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298975

0 1
O 4.896017 1.511209 -0.070369
N 3.333295 -0.931983 -0.293411
N -2.582478 -3.363289 1.573156
C -2.057152 -1.321133 -0.081185
C -0.906378 -1.877262 -1.015127
C -3.413699 -1.065477 -0.885656
C 0.479434 -1.934150 -0.341579
C -1.615839 -0.047165 0.702467
C 1.575675 -2.448824 -1.299103
C 2.996128 -2.317883 -0.702587
C -3.853786 -2.290541 -1.721521
C -4.556436 -0.615228 0.055011
C -1.194368 1.179238 0.040794
C -2.341667 -2.428144 0.871582
C 4.552001 -0.869198 0.551574
C 3.449891 0.014911 -1.431140
C -1.610208 -0.083183 2.104782
C -0.776301 2.307599 0.862753
C 4.770317 0.567432 1.053871
C 3.686421 1.440883 -0.906615
C -1.209605 1.029410 2.902406
C -1.147495 1.371233 -1.385793
C -0.794837 2.207972 2.291559
C -0.340122 3.526831 0.244335
C -0.717431 2.569717 -1.960438
C -0.305546 3.664830 -1.142226
H -0.845647 -1.254986 -1.926380
H -1.196451 -2.890869 -1.349421
H -3.205294 -0.231715 -1.581398
H 0.434361 -2.589121 0.552318
H 0.778484 -0.934894 0.020562
H 1.404954 -3.516188 -1.546201
H 1.517950 -1.899448 -2.261053
H 3.060871 -2.950558 0.204698
H 3.741252 -2.722623 -1.436225
H -4.806749 -2.064375 -2.233833
H -4.021297 -3.174770 -1.079071
H -3.116003 -2.560773 -2.497034
H -5.460733 -0.383541 -0.536468
H -4.818359 -1.415463 0.772040
H -4.283814 0.286135 0.630497
H 4.422137 -1.545054 1.418498
H 5.462765 -1.200992 -0.010213
H 4.288938 -0.273167 -2.115667
H 2.513139 0.007035 -2.017479
H -1.919450 -0.999274 2.617756
H 3.916110 0.866955 1.698826
H 5.713449 0.654391 1.618770
H 3.862091 2.145318 -1.736690
H 2.801683 1.769899 -0.319255
H -1.228194 0.940712 3.993646
H -1.455172 0.568675 -2.056611
H -0.477089 3.071277 2.887875
H -0.031382 4.355850 0.892398
H -0.700354 2.671279 -3.051326
H 0.029671 4.600381 -1.602399


