%chk=000189306.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189306

0 1
O 4.504379 -1.546833 0.620275
O 6.092671 0.790652 -0.103352
O -4.793978 1.795508 0.795976
O -5.979610 -0.541919 -0.537910
N 0.399509 -1.412605 -0.060597
C -0.338114 -0.199416 0.435323
C 0.362426 1.040382 -0.253702
C 1.890617 0.903476 -0.226572
C -1.834403 -0.291153 0.168459
C 1.739067 -1.493584 0.593949
C -0.364327 -2.685883 0.085121
C 2.525220 -0.272513 0.202457
C -1.570900 -2.582171 -0.858786
C 0.019010 2.323567 0.529120
C -0.096806 1.146809 -1.713861
C -2.418903 -1.408323 -0.467755
C 2.681732 1.992800 -0.637816
C -2.677301 0.732469 0.623534
C 3.931997 -0.333264 0.241940
C -3.795548 -1.448775 -0.726369
C 4.073202 1.932486 -0.624637
C 4.705000 0.763056 -0.182196
C -4.053584 0.689884 0.387547
C -4.616640 -0.395490 -0.315090
C 5.296159 -1.460500 1.837353
C 6.751242 -0.195965 -0.945342
C -5.786144 1.488095 1.814309
C -6.568504 0.521172 -1.337239
H -0.217177 -0.082749 1.548341
H 2.264562 -2.406663 0.220968
H 1.700374 -1.582885 1.703013
H -0.697553 -2.892616 1.124216
H 0.290263 -3.529081 -0.224458
H -2.147876 -3.526063 -0.846677
H -1.217077 -2.446033 -1.905947
H 0.429127 2.299320 1.543844
H 0.424848 3.213950 0.034857
H -1.064748 2.487658 0.606563
H 0.416207 1.947240 -2.253399
H 0.106929 0.203792 -2.242451
H -1.173960 1.333884 -1.784163
H 2.197853 2.907503 -0.983736
H -2.274205 1.597990 1.160659
H -4.245858 -2.295791 -1.242378
H 4.680683 2.775201 -0.949415
H 6.068146 -0.687779 1.739819
H 5.733478 -2.461846 1.901817
H 4.637020 -1.255697 2.684431
H 6.600814 0.071405 -1.994713
H 6.370596 -1.201939 -0.733827
H 7.800282 -0.088456 -0.651958
H -6.317595 2.439772 1.916058
H -5.277646 1.214373 2.742393
H -6.451757 0.686360 1.474646
H -6.338896 1.504125 -0.909682
H -7.637303 0.291995 -1.276337
H -6.201098 0.440374 -2.363822


%chk=000189306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189306

0 1
O 4.478682 -1.502495 0.887218
O 6.168791 0.750092 0.146571
O -4.823085 1.668565 1.255317
O -6.064037 -0.432886 -0.382251
N 0.388699 -1.399652 -0.147709
C -0.301219 -0.145896 0.243929
C 0.387170 1.031013 -0.577015
C 1.922741 0.919443 -0.373348
C -1.822398 -0.243263 0.091401
C 1.710028 -1.495195 0.475792
C -0.393106 -2.644668 -0.173580
C 2.528461 -0.254972 0.154393
C -1.581071 -2.455189 -1.135288
C -0.112482 2.412186 -0.072199
C 0.058328 0.889720 -2.088987
C -2.437390 -1.307721 -0.628427
C 2.769783 2.004307 -0.726592
C -2.659283 0.704657 0.732481
C 3.930993 -0.303038 0.358285
C -3.843624 -1.331526 -0.777672
C 4.167402 1.939011 -0.565025
C 4.762061 0.779831 -0.027895
C -4.060282 0.669601 0.598722
C -4.662147 -0.337130 -0.208109
C 5.152579 -1.343218 2.196769
C 6.865436 -0.255894 -0.687986
C -5.737034 1.150198 2.299690
C -6.677484 0.725405 -1.072781
H -0.096365 0.080797 1.324539
H 2.238274 -2.384824 0.088947
H 1.649780 -1.629301 1.589801
H -0.775379 -2.951294 0.833559
H 0.272525 -3.451628 -0.534176
H -2.182783 -3.380679 -1.199507
H -1.179020 -2.243271 -2.145081
H 0.055846 2.532717 1.014982
H 0.409612 3.238126 -0.584100
H -1.187764 2.536832 -0.280908
H 0.587394 1.663632 -2.674495
H 0.374286 -0.102720 -2.452692
H -1.027485 1.005227 -2.264099
H 2.339287 2.917609 -1.148377
H -2.238659 1.480153 1.379313
H -4.329523 -2.137491 -1.338826
H 4.815952 2.772526 -0.852856
H 5.980781 -0.615619 2.125171
H 5.535469 -2.342940 2.453755
H 4.426452 -1.009193 2.962403
H 6.732680 -0.018196 -1.760807
H 6.486017 -1.272946 -0.480464
H 7.929411 -0.177544 -0.416187
H -6.281262 2.029593 2.676969
H -5.154400 0.688064 3.119514
H -6.440665 0.409570 1.878209
H -6.465467 1.666440 -0.533843
H -7.759025 0.520762 -1.084037
H -6.296575 0.793618 -2.109610


