%chk=000209250.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209250

0 1
O 3.514422 0.048595 0.412683
O 3.889673 -1.784077 -0.894939
N -0.475956 -1.971982 0.590243
N 2.413580 -1.898139 0.920730
N -4.216947 -1.318638 0.553914
C 4.587144 0.785926 -0.296544
C 4.088043 1.209679 -1.678739
C 4.883992 1.950571 0.651556
C 2.967210 2.251817 -1.603184
C 3.755287 2.989271 0.678050
C 3.379896 3.449555 -0.736717
C 0.205934 -0.709121 1.029471
C 0.409811 -2.749978 -0.338649
C 1.513033 -1.066003 1.766109
C 1.724032 -3.107727 0.385241
C -1.793986 -1.672302 -0.054549
C 3.298435 -1.254628 0.027791
C -2.844161 -1.518805 1.071208
C -4.551262 -0.107969 -0.107253
C -3.864943 1.097367 0.151565
C -5.667104 -0.105049 -0.977945
C -4.302012 2.280715 -0.443593
C -6.084982 1.090096 -1.558529
C -5.406555 2.286841 -1.300427
H 5.450824 0.088106 -0.380171
H 3.741897 0.312314 -2.233738
H 4.942107 1.611233 -2.258991
H 5.833726 2.427136 0.338697
H 5.051494 1.557195 1.674400
H 2.698031 2.590171 -2.620571
H 2.058366 1.781055 -1.178696
H 2.867490 2.545313 1.171837
H 4.056404 3.855604 1.294971
H 2.554667 4.183844 -0.688413
H 4.233063 3.977854 -1.202711
H 0.422253 -0.013597 0.189335
H -0.473186 -0.172531 1.726819
H 0.632347 -2.210942 -1.284864
H -0.118175 -3.688864 -0.614485
H 1.289453 -1.656923 2.684560
H 2.045399 -0.140600 2.083276
H 2.409828 -3.652906 -0.303668
H 1.518906 -3.775361 1.253666
H -1.781330 -0.765051 -0.696377
H -2.085099 -2.514396 -0.718277
H -2.847972 -2.430084 1.713543
H -2.575557 -0.674543 1.745010
H -4.604506 -2.159572 0.122824
H -3.012863 1.111917 0.824363
H -6.207267 -1.024390 -1.182785
H -3.773815 3.211255 -0.236302
H -6.948872 1.091397 -2.223209
H -5.738097 3.212855 -1.760137


%chk=000209250-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209250

0 1
O 3.728211 0.210768 0.429201
O 4.156465 -1.839036 -0.652380
N -0.696620 -1.863837 0.375486
N 2.140821 -1.455613 0.485877
N -4.497299 -1.516330 0.546661
C 5.052927 0.723096 -0.066326
C 4.893487 1.259666 -1.503445
C 5.472257 1.817214 0.928908
C 3.976324 2.503371 -1.564372
C 4.558052 3.064166 0.855349
C 4.460522 3.606143 -0.591707
C -0.136686 -0.505285 0.598572
C 0.216952 -2.664979 -0.482128
C 1.245461 -0.591647 1.277476
C 1.601092 -2.794199 0.182095
C -2.091002 -1.838702 -0.128036
C 3.394162 -1.097362 0.030186
C -3.112417 -1.583830 1.014282
C -5.100059 -0.389083 -0.024031
C -4.400981 0.841933 -0.205113
C -6.467586 -0.456598 -0.431391
C -5.058963 1.958039 -0.765081
C -7.107525 0.663687 -0.994014
C -6.412329 1.885671 -1.166564
H 5.754455 -0.131029 -0.054726
H 4.518677 0.448635 -2.153683
H 5.905280 1.527058 -1.872719
H 6.514334 2.107473 0.683169
H 5.482493 1.396744 1.951558
H 3.939697 2.890718 -2.600665
H 2.943794 2.207062 -1.292093
H 3.545399 2.789910 1.210676
H 4.940400 3.848177 1.536948
H 3.777240 4.476687 -0.628143
H 5.458897 3.967939 -0.916456
H -0.034765 0.053396 -0.367509
H -0.817302 0.069479 1.252132
H 0.341993 -2.206556 -1.495630
H -0.215839 -3.673572 -0.614430
H 1.120041 -1.026967 2.289687
H 1.698143 0.405680 1.371090
H 2.313989 -3.311337 -0.479783
H 1.498600 -3.369956 1.123917
H -2.237734 -1.079647 -0.934601
H -2.316110 -2.824930 -0.575500
H -3.019291 -2.403460 1.748971
H -2.860947 -0.650984 1.555143
H -5.060094 -2.363211 0.609102
H -3.348877 0.930550 0.084881
H -7.023102 -1.394499 -0.298644
H -4.501872 2.893905 -0.893094
H -8.157915 0.583392 -1.297861
H -6.912750 2.755591 -1.603843


