%chk=000285516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285516

0 1
O -2.977635 1.616969 1.070575
N 1.105839 0.827027 0.158358
N -3.628939 1.163444 -1.067556
C 2.126161 1.699012 0.825629
C 3.493460 1.467595 0.160291
C 1.428420 -0.631331 0.319852
C -0.271202 1.127420 0.665357
C 3.842769 0.005446 0.138304
C 2.893730 -0.938287 0.206894
C -1.278059 0.802843 -0.453581
C 5.280947 -0.326140 0.022202
C -2.673464 1.218875 -0.042994
C 5.929336 -1.017287 1.057774
C 6.002827 0.051858 -1.120903
C -5.056296 1.432260 -0.769515
C 7.288205 -1.324421 0.949302
C 7.360503 -0.261080 -1.224580
C 8.005531 -0.947731 -0.190598
C -5.794401 0.158234 -0.429442
C -6.674197 -0.425288 -1.349891
C -5.591622 -0.441912 0.822755
C -7.351363 -1.602931 -1.016328
C -6.268673 -1.618226 1.150029
C -7.149912 -2.200192 0.231363
H 2.202406 1.517189 1.919175
H 1.819944 2.758585 0.687228
H 4.271024 2.054995 0.685757
H 3.469208 1.844325 -0.885596
H 1.050999 -1.050251 1.282672
H 0.883890 -1.159695 -0.499082
H -0.356161 2.207544 0.923117
H -0.542195 0.573738 1.591073
H 3.132848 -2.000213 0.179815
H -0.959519 1.317681 -1.386627
H -1.253438 -0.279073 -0.692319
H 5.371598 -1.310006 1.945493
H 5.501263 0.582406 -1.928245
H -3.441731 0.680986 -1.938986
H -5.117695 2.149502 0.089965
H -5.508023 1.949447 -1.644916
H 7.788884 -1.858835 1.754844
H 7.917305 0.030320 -2.113569
H 9.063169 -1.188691 -0.273383
H -6.837241 0.034118 -2.322308
H -4.901087 0.018298 1.535226
H -8.037371 -2.053999 -1.731044
H -6.112004 -2.081807 2.122762
H -7.678438 -3.115724 0.489255


%chk=000285516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285516

0 1
O -2.910789 2.047857 0.890943
N 1.211962 0.999591 0.137458
N -3.605058 0.780503 -0.933639
C 2.256943 1.944591 0.600749
C 3.618571 1.590289 -0.024527
C 1.498851 -0.381062 0.589118
C -0.155993 1.445050 0.492265
C 3.963196 0.119152 0.187406
C 2.958442 -0.758027 0.478148
C -1.233621 0.669300 -0.290067
C 5.386004 -0.307552 0.053207
C -2.638090 1.236699 -0.047860
C 5.880093 -1.493434 0.670889
C 6.306172 0.475738 -0.700278
C -5.026451 1.155659 -0.819337
C 7.224769 -1.888820 0.523014
C 7.653698 0.081321 -0.850138
C 8.121883 -1.105102 -0.242022
C -5.927078 -0.024995 -0.467494
C -7.019040 -0.380622 -1.296150
C -5.684766 -0.778357 0.710721
C -7.856621 -1.469551 -0.957259
C -6.517828 -1.865343 1.050839
C -7.607228 -2.215437 0.216677
H 2.352131 1.942391 1.717417
H 1.957996 2.965044 0.298328
H 4.402631 2.232925 0.421738
H 3.587006 1.819881 -1.108367
H 1.167690 -0.537509 1.654682
H 0.904540 -1.092104 -0.019666
H -0.244147 2.517372 0.242054
H -0.361712 1.355633 1.587043
H 3.174667 -1.825244 0.616466
H -0.982710 0.697945 -1.368287
H -1.239047 -0.397863 0.009553
H 5.211699 -2.096956 1.295218
H 5.963710 1.394592 -1.188231
H -3.340539 0.101136 -1.649741
H -5.059603 1.925716 -0.026097
H -5.366292 1.624200 -1.762595
H 7.578853 -2.802227 1.014788
H 8.337322 0.700192 -1.442580
H 9.168204 -1.410440 -0.353258
H -7.216775 0.196410 -2.208691
H -4.846415 -0.501721 1.361316
H -8.698422 -1.734278 -1.607103
H -6.324643 -2.436367 1.966086
H -8.254565 -3.059181 0.480869


