%chk=000298376.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298376

0 1
O 1.133364 1.973586 1.253756
O -4.104318 -0.116144 2.018912
O 0.726313 -2.215826 -2.196386
N -2.431144 0.032733 -0.360721
N -1.705115 -0.877498 -1.102863
N 3.385490 0.763936 0.480916
C -0.292974 0.501699 0.065399
C -1.604395 0.905674 0.367141
C -0.410093 -0.608575 -0.854771
C 0.972671 1.021257 0.513545
C -3.869687 0.020794 -0.422804
C 2.199415 0.260973 -0.030024
C 0.802517 -1.297751 -1.411855
C -2.083860 1.986286 1.234087
C 2.072452 -0.758338 -0.916911
C -4.657594 -0.087843 0.745380
C -4.503540 0.113816 -1.674219
C 4.700330 0.237145 0.267287
C -6.056174 -0.050927 0.667215
C -5.897116 0.138254 -1.745619
C -6.670189 0.067829 -0.580103
C 5.764788 1.159647 0.192957
C 4.947358 -1.143787 0.195427
C 7.066889 0.686730 0.033291
C 6.259161 -1.594853 0.029599
C 7.318947 -0.687517 -0.052863
C -3.462026 -1.372016 2.374605
H -2.761262 1.609307 2.027849
H -2.641518 2.757053 0.678745
H -1.236018 2.494626 1.735823
H 2.947851 -1.251646 -1.348906
H 3.323164 1.632465 1.033133
H -3.899132 0.158828 -2.584838
H -6.640347 -0.117381 1.585175
H -6.384960 0.211773 -2.718056
H -7.758691 0.096224 -0.647080
H 5.577227 2.229798 0.249348
H 4.130473 -1.860881 0.279541
H 7.893317 1.395091 -0.028542
H 6.453333 -2.666264 -0.031743
H 8.337360 -1.047478 -0.182844
H -3.101538 -1.161505 3.388935
H -4.204115 -2.175464 2.375146
H -2.633814 -1.594828 1.696235


%chk=000298376-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298376

0 1
O 1.232754 1.910215 1.148965
O -4.097536 -0.095311 2.091269
O 0.541837 -2.526425 -2.126833
N -2.463485 0.000339 -0.308680
N -1.793294 -1.016406 -1.037553
N 3.372404 0.616070 0.339058
C -0.304259 0.393079 0.042860
C -1.599888 0.874833 0.341908
C -0.480826 -0.757071 -0.801492
C 1.004643 0.878176 0.427488
C -3.897887 0.054905 -0.372977
C 2.185094 0.065009 -0.099514
C 0.676035 -1.524485 -1.348236
C -2.040369 2.069826 1.123786
C 1.994942 -1.035103 -0.931635
C -4.685158 0.016790 0.811040
C -4.524516 0.134148 -1.637104
C 4.719010 0.203651 0.203323
C -6.089161 0.132302 0.719007
C -5.929219 0.224481 -1.723931
C -6.710455 0.242201 -0.543947
C 5.721362 1.198391 0.389955
C 5.114983 -1.138612 -0.048535
C 7.085881 0.861958 0.309866
C 6.486358 -1.461497 -0.130040
C 7.479582 -0.470842 0.041093
C -3.537113 -1.433201 2.403260
H -2.612906 1.762895 2.017692
H -2.702994 2.717988 0.520181
H -1.155126 2.644659 1.433811
H 2.835826 -1.580570 -1.364437
H 3.204074 1.493265 0.861054
H -3.899379 0.123419 -2.535015
H -6.671475 0.119602 1.645584
H -6.409756 0.288566 -2.705219
H -7.800493 0.326381 -0.607563
H 5.421534 2.234836 0.587661
H 4.373350 -1.934991 -0.134746
H 7.842598 1.641074 0.452302
H 6.777146 -2.500601 -0.319595
H 8.540617 -0.731912 -0.026882
H -3.078375 -1.332538 3.397899
H -4.347647 -2.185095 2.431931
H -2.775913 -1.735398 1.661241


