%chk=000272936.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272936

0 1
O 0.266261 -0.153228 -2.330036
N 2.415586 0.044184 1.168386
N -5.224300 -0.271367 0.751613
C 0.310688 -0.090044 -0.873252
C 1.023459 -1.313957 -0.337078
C 0.969381 1.205369 -0.446506
C 2.043105 -1.223694 0.636766
C 1.989800 1.243604 0.530227
C -1.157115 -0.104178 -0.466980
C 3.546981 0.110542 2.138662
C 0.632546 -2.571505 -0.816317
C 0.527565 2.398349 -1.033920
C 2.649621 -2.411774 1.109039
C 2.542977 2.493542 0.897193
C -1.493514 -0.053641 0.893687
C -2.179708 -0.168139 -1.420784
C 1.236200 -3.738650 -0.350217
C 1.079168 3.626549 -0.671653
C 2.242835 -3.649128 0.617630
C 2.085315 3.664768 0.300143
C 4.911419 0.110734 1.452789
C -2.825349 -0.059272 1.297557
C -3.517550 -0.174185 -1.031249
C 1.544365 -0.157776 -2.993522
C -3.863574 -0.124186 0.338230
C -5.559520 0.252356 2.105701
C -6.260004 0.115574 -0.247184
H 3.462416 -0.751925 2.841183
H 3.423785 1.025411 2.764947
H -0.159421 -2.619614 -1.569581
H -0.261839 2.346306 -1.789429
H 3.432528 -2.373109 1.862832
H 3.324706 2.554035 1.650801
H -0.701841 -0.007778 1.643643
H -1.922635 -0.211792 -2.483134
H 0.923510 -4.707282 -0.729573
H 0.728107 4.543960 -1.135003
H 2.715884 -4.557041 0.991776
H 2.518152 4.621167 0.593373
H 5.063005 -0.793160 0.848122
H 5.025135 0.965373 0.772948
H 5.724120 0.159472 2.185595
H -3.056141 -0.028776 2.359283
H -4.288550 -0.233030 -1.794915
H 2.091622 0.764576 -2.776814
H 1.260704 -0.208242 -4.050577
H 2.125036 -1.037550 -2.700081
H -5.438468 1.342173 2.203849
H -4.919051 -0.240543 2.858628
H -6.601156 -0.009268 2.352125
H -7.258744 -0.136240 0.144351
H -6.119337 -0.476173 -1.169188
H -6.245866 1.184002 -0.512187


%chk=000272936-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272936

0 1
O 0.295147 -0.194246 -2.340423
N 2.621519 0.066871 1.010837
N -5.333453 0.054814 0.688600
C 0.286887 -0.091120 -0.836565
C 0.998583 -1.309273 -0.248783
C 0.966148 1.217163 -0.423071
C 2.135565 -1.202532 0.607356
C 2.101978 1.257369 0.440869
C -1.208868 -0.078931 -0.466227
C 3.673303 0.151033 2.047851
C 0.515913 -2.590463 -0.606446
C 0.451127 2.425981 -0.948081
C 2.768675 -2.404399 1.052641
C 2.700768 2.524347 0.721592
C -1.592153 -0.147830 0.895749
C -2.232758 0.034042 -1.434811
C 1.131081 -3.771283 -0.152003
C 1.032848 3.673063 -0.655473
C 2.270355 -3.665714 0.680839
C 2.170618 3.711072 0.184817
C 5.112493 0.133930 1.484486
C -2.942089 -0.104905 1.285519
C -3.591830 0.076549 -1.063565
C 1.631783 -0.220447 -2.939545
C -3.983830 0.010709 0.309813
C -5.700327 -0.012198 2.106497
C -6.376751 0.184969 -0.333111
H 3.530156 -0.685535 2.753409
H 3.504649 1.068815 2.637040
H -0.361929 -2.635495 -1.259941
H -0.426909 2.363032 -1.599421
H 3.667150 -2.364742 1.673437
H 3.597684 2.592727 1.341967
H -0.820774 -0.241177 1.670189
H -1.953967 0.078150 -2.491077
H 0.738728 -4.751418 -0.441453
H 0.614776 4.594818 -1.072659
H 2.779755 -4.568123 1.038073
H 2.654008 4.666499 0.419087
H 5.305256 -0.792053 0.915032
H 5.283828 0.986951 0.804868
H 5.848649 0.193731 2.307517
H -3.185063 -0.162266 2.350437
H -4.347500 0.160191 -1.850225
H 2.198821 0.704831 -2.714232
H 1.461515 -0.291985 -4.025906
H 2.214061 -1.099497 -2.598218
H -5.275713 0.834150 2.685983
H -5.352144 -0.953760 2.579725
H -6.797035 0.028441 2.203940
H -7.365391 0.209487 0.152653
H -6.368631 -0.666942 -1.044475
H -6.264415 1.118400 -0.923212


