%chk=000149891.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000149891

0 1
O -0.213197 -0.942756 1.130893
O -2.567517 -0.894852 2.107750
O 2.371618 0.383660 -1.724427
O -4.475129 1.579667 -2.287746
N 6.148866 0.173655 -0.201833
N 2.084850 -1.338657 -0.247534
C 4.830620 0.463280 0.451118
C 4.228984 -0.856258 0.970666
C 3.536485 -1.643713 -0.153276
C 7.268472 0.234254 0.796725
C 6.404582 1.083621 -1.368312
C -2.115656 0.010914 -0.009532
C -2.593244 0.663909 -1.168976
C 0.148516 0.000104 -1.001557
C -0.740779 -0.318453 0.061207
C -4.445243 0.035687 1.000890
C -4.943855 0.682997 -0.145934
C -3.006422 -0.325152 1.105793
C 1.626408 -0.274941 -1.006080
C 8.480914 -0.535545 0.268571
C 5.518369 0.684282 -2.547245
C -4.050846 1.028931 -1.294351
C -1.734270 0.980789 -2.208207
C -0.365120 0.653764 -2.117370
C -5.307247 -0.274507 2.058229
C -6.300274 1.013139 -0.222584
C -6.665931 0.059150 1.975506
C -7.160453 0.700532 0.839394
H 4.907938 1.197328 1.278981
H 4.130755 0.912129 -0.297337
H 3.524579 -0.643679 1.795594
H 5.029774 -1.486864 1.407470
H 4.027950 -1.414563 -1.132896
H 3.640109 -2.737543 0.011574
H 7.560303 1.275241 1.054598
H 6.922472 -0.240491 1.741543
H 6.247228 2.154818 -1.117306
H 7.472940 0.979179 -1.662687
H 1.484520 -1.786210 0.446638
H 8.188947 -1.542084 -0.060668
H 8.933500 -0.039756 -0.597868
H 9.249764 -0.638894 1.039640
H 5.693463 -0.357908 -2.838844
H 4.444600 0.762021 -2.299999
H 5.704424 1.319649 -3.416828
H -2.116654 1.489037 -3.099490
H 0.316445 0.923980 -2.937559
H -4.909664 -0.777948 2.945669
H -6.681070 1.516365 -1.117753
H -7.334026 -0.184766 2.802805
H -8.217938 0.961259 0.772858
H -0.923461 -1.134001 1.887188


%chk=000149891-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149891

0 1
O -0.382803 -1.091169 1.199006
O -2.706490 -1.258976 1.992372
O 2.394325 0.445052 -1.681943
O -4.502758 1.899569 -2.173705
N 6.250622 0.261036 -0.314376
N 2.111402 -0.860495 0.234368
C 5.089619 0.818061 0.426239
C 4.354386 -0.260816 1.259249
C 3.527262 -1.243392 0.383008
C 7.453745 0.055444 0.532256
C 6.537552 0.953544 -1.601651
C -2.192029 0.013152 0.019158
C -2.641054 0.831569 -1.064927
C 0.150090 0.197011 -0.803855
C -0.793754 -0.302462 0.147327
C -4.569016 -0.193983 0.882420
C -5.034476 0.621820 -0.193594
C -3.133233 -0.513136 1.007655
C 1.643334 -0.062437 -0.781455
C 8.347664 -1.097687 0.035229
C 5.627091 0.486873 -2.753735
C -4.088588 1.170992 -1.214626
C -1.704571 1.320424 -1.998198
C -0.336583 1.003037 -1.859720
C -5.488518 -0.700967 1.835539
C -6.415303 0.916586 -0.297161
C -6.859887 -0.400863 1.721961
C -7.323997 0.409349 0.653607
H 5.409381 1.650860 1.101215
H 4.381634 1.241264 -0.306926
H 3.683512 0.227851 1.992867
H 5.096923 -0.837557 1.844651
H 3.993140 -1.305396 -0.616299
H 3.540900 -2.253893 0.830626
H 8.057269 0.994899 0.607202
H 7.115336 -0.176443 1.559338
H 6.452672 2.061285 -1.477669
H 7.591382 0.750065 -1.868160
H 1.415738 -1.200279 0.914793
H 7.780502 -2.044847 0.029739
H 8.712588 -0.916920 -0.991932
H 9.230796 -1.214554 0.691131
H 5.793309 -0.586746 -2.955580
H 4.558535 0.624560 -2.516039
H 5.855947 1.055689 -3.675364
H -2.064548 1.943637 -2.821546
H 0.410848 1.370084 -2.571159
H -5.104353 -1.323067 2.649468
H -6.747375 1.543519 -1.130691
H -7.568807 -0.792902 2.458622
H -8.390906 0.640866 0.567959
H -1.258056 -1.335311 1.760405


