%chk=000280348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280348

0 1
O 1.194005 0.523434 -1.424909
N -0.250494 -0.569980 0.021214
N 1.987980 -0.029580 0.678422
C -1.423773 -0.273698 -0.857833
C -2.480381 -1.378345 -0.655811
C -2.009529 1.129081 -0.591311
C -3.225050 -1.263225 0.680074
C -2.741016 1.223349 0.751467
C -3.818471 0.137965 0.877246
C 0.992474 0.017408 -0.329297
C 3.399063 0.277753 0.283184
C 4.089671 -0.959711 -0.301877
C 4.134345 0.800558 1.520833
H -1.050353 -0.307652 -1.920082
H -2.001158 -2.373701 -0.736494
H -3.205246 -1.321056 -1.491571
H -2.704998 1.383511 -1.414634
H -1.200760 1.884936 -0.642969
H -2.542825 -1.504698 1.516790
H -4.030446 -2.021347 0.721537
H -3.201501 2.224501 0.854914
H -2.018256 1.138220 1.584577
H -4.614606 0.314830 0.128320
H -4.309294 0.204782 1.865798
H -0.484514 -0.664826 1.008596
H 3.355575 1.083010 -0.503423
H 1.892263 -0.702917 1.434981
H 5.118488 -0.731004 -0.601301
H 4.133109 -1.792397 0.406077
H 3.564836 -1.312780 -1.200116
H 3.604898 1.652996 1.965985
H 5.141653 1.142209 1.256246
H 4.242410 0.037874 2.298767


%chk=000280348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280348

0 1
O 1.198967 0.633699 -1.460193
N -0.260040 -0.444193 0.017719
N 2.011574 -0.171601 0.585418
C -1.436063 -0.265466 -0.862376
C -2.471159 -1.386966 -0.597848
C -2.086073 1.136434 -0.688139
C -3.186035 -1.231985 0.769237
C -2.781913 1.290423 0.684232
C -3.826650 0.170419 0.912261
C 0.995329 0.040134 -0.351708
C 3.406616 0.231817 0.309989
C 4.200257 -0.903910 -0.381209
C 4.081630 0.698420 1.616596
H -1.053903 -0.343143 -1.896456
H -1.978338 -2.375204 -0.674895
H -3.233609 -1.340118 -1.400517
H -2.833945 1.274438 -1.496239
H -1.307558 1.907392 -0.831835
H -2.468195 -1.391792 1.603312
H -3.955923 -2.020215 0.877640
H -3.264734 2.284026 0.754097
H -2.019742 1.252874 1.490136
H -4.637589 0.274050 0.161521
H -4.297114 0.276768 1.909133
H -0.409578 -0.825953 0.952347
H 3.332216 1.079053 -0.395079
H 1.842729 -0.761169 1.402955
H 5.221244 -0.566288 -0.639588
H 4.288406 -1.786567 0.281250
H 3.690843 -1.209277 -1.311299
H 3.522443 1.534132 2.072963
H 5.113946 1.036582 1.416350
H 4.140061 -0.127315 2.353626


