%chk=000280029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280029

0 1
O -4.739441 -2.370078 -0.130862
N -0.290840 -1.648376 1.062722
N -1.799969 0.254406 0.987504
N -2.587342 -1.965861 0.451699
N 2.527762 -1.001060 0.193971
C -4.057020 -0.031794 -0.117431
C -3.185695 0.762195 0.898514
C -3.727231 0.303774 -1.584719
C -3.149599 2.267254 0.569305
C -3.787447 1.814460 -1.833454
C -2.821056 2.551575 -0.899352
C -3.882532 -1.534448 0.065502
C -1.566150 -1.013407 0.817621
C 0.354499 -2.208610 -0.166777
C 0.657951 -0.816934 1.881284
C 1.413762 -1.271375 -0.773550
C 2.112487 -1.233807 1.608602
C 3.332987 0.145144 -0.092997
C 3.496037 0.581682 -1.428303
C 4.084246 0.776716 0.924813
C 4.386628 1.614428 -1.721503
C 4.968931 1.805988 0.610954
C 5.125550 2.235331 -0.710625
H -5.131850 0.218353 0.071293
H -3.649438 0.640776 1.919114
H -4.435642 -0.223310 -2.253861
H -2.716051 -0.071799 -1.839257
H -2.396029 2.759073 1.219296
H -4.127653 2.713713 0.831908
H -4.819585 2.185969 -1.685464
H -3.535392 2.030051 -2.889148
H -1.778277 2.238217 -1.109572
H -2.859553 3.640111 -1.090077
H -0.403910 -2.460090 -0.938268
H 0.821781 -3.174666 0.141804
H 0.391512 -0.995383 2.946755
H 0.536998 0.276815 1.695007
H -2.413332 -2.966682 0.576288
H 1.868763 -1.754899 -1.668609
H 0.926204 -0.327787 -1.111420
H 2.791213 -0.704039 2.317057
H 2.254246 -2.322656 1.807245
H 2.951571 0.112969 -2.241906
H 3.980753 0.455813 1.961059
H 4.505886 1.939402 -2.755156
H 5.542859 2.281289 1.406323
H 5.814611 3.039852 -0.948630


%chk=000280029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280029

0 1
O -4.092508 -2.877673 -0.702549
N -0.213367 -0.437050 0.326628
N -2.286143 0.527515 0.920739
N -2.209780 -1.677667 -0.066350
N 2.650740 -0.061760 -0.015817
C -4.364027 -0.491990 -0.090594
C -3.748690 0.301445 1.103229
C -4.380343 0.355759 -1.399360
C -4.459054 1.660308 1.290895
C -5.115915 1.697300 -1.173545
C -4.474436 2.492054 -0.011272
C -3.590235 -1.787771 -0.310479
C -1.603524 -0.472065 0.411347
C 0.569150 -1.288340 -0.596125
C 0.495261 0.689508 0.967809
C 1.807224 -0.532575 -1.124798
C 1.963515 0.319593 1.235044
C 4.044334 0.058924 -0.146835
C 4.682919 -0.018903 -1.424567
C 4.872582 0.265686 1.001169
C 6.083293 0.095291 -1.537804
C 6.270466 0.386767 0.868433
C 6.894299 0.300293 -0.397677
H -5.405551 -0.775679 0.150357
H -3.895236 -0.299827 2.029557
H -4.866381 -0.229065 -2.202339
H -3.341178 0.564200 -1.721624
H -3.941855 2.213486 2.096231
H -5.499499 1.474098 1.627559
H -6.182870 1.497133 -0.942029
H -5.096049 2.293825 -2.105935
H -3.431019 2.753643 -0.276282
H -5.019951 3.441018 0.152961
H -0.052139 -1.576311 -1.464995
H 0.911079 -2.217442 -0.091821
H -0.022738 0.926827 1.912264
H 0.437325 1.601503 0.338332
H -1.660709 -2.532695 -0.193191
H 2.384375 -1.239647 -1.748226
H 1.478094 0.300443 -1.784949
H 2.462111 1.206118 1.671703
H 2.012150 -0.494403 1.991596
H 4.088838 -0.136663 -2.336371
H 4.430803 0.305578 2.001541
H 6.541995 0.036063 -2.531951
H 6.877933 0.539452 1.768345
H 7.980917 0.391990 -0.493557


