%chk=000297876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297876

0 1
O 1.610915 1.333610 0.906254
O -3.598098 1.474163 -1.587706
N 2.980008 1.441982 -0.912386
N -1.554006 -0.418360 -1.260505
N -2.834276 -0.464183 -0.660355
N -7.517126 -0.141314 1.221711
C 4.113168 2.025413 -0.141565
C 5.329363 1.073402 -0.166153
C 5.071540 -0.301342 0.388571
C 4.482604 3.386682 -0.740408
C 1.783285 1.100714 -0.280770
C 0.748023 0.442479 -1.174223
C -0.633615 0.514955 -0.512733
C 4.170658 -0.518194 1.441540
C 5.783226 -1.390317 -0.143130
C 3.985387 -1.804710 1.954046
C 5.595341 -2.674199 0.374377
C 4.696705 -2.885765 1.424596
C -3.805921 0.525946 -0.851651
C -5.092655 0.275708 -0.118881
C -5.133838 0.309691 1.278750
C -6.262565 0.038855 -0.847121
C -6.371679 0.098038 1.910476
C -7.456959 -0.166596 -0.134455
H 3.768909 2.168276 0.923450
H 5.725128 1.000440 -1.199765
H 6.151287 1.536986 0.423904
H 3.161475 1.202318 -1.879232
H 4.833846 3.313207 -1.774758
H 5.273022 3.873386 -0.157532
H 3.617693 4.063888 -0.738709
H 1.034201 -0.623454 -1.332426
H 0.722369 0.904425 -2.180267
H -0.559783 0.180638 0.549499
H -1.000529 1.564908 -0.487947
H 3.594110 0.313109 1.857014
H 6.486569 -1.238411 -0.958358
H 3.281140 -1.962637 2.770009
H 6.151517 -3.512271 -0.041972
H -1.658463 -0.070652 -2.236978
H 4.551664 -3.885399 1.826967
H -2.957221 -1.268467 -0.043685
H -4.239533 0.508890 1.866263
H -6.252539 0.026887 -1.936577
H -6.461971 0.118507 3.003780
H -8.403678 -0.356332 -0.655761


%chk=000297876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297876

0 1
O 1.671399 1.059179 1.414317
O -3.546632 0.643833 -1.977960
N 2.792538 1.155061 -0.624660
N -1.692067 -0.802961 -0.471840
N -3.028924 -0.532118 -0.048048
N -7.997956 0.755815 0.560038
C 3.940425 1.939691 -0.123116
C 5.283251 1.208575 -0.385816
C 5.401274 -0.210946 0.164654
C 3.946703 3.355790 -0.742220
C 1.741783 0.755696 0.181052
C 0.676897 -0.107933 -0.505777
C -0.732267 0.246783 0.000382
C 4.745328 -0.621602 1.354695
C 6.230905 -1.147923 -0.504836
C 4.923314 -1.929684 1.859968
C 6.412440 -2.455393 -0.001018
C 5.757960 -2.851895 1.187905
C -3.907214 0.190282 -0.843581
C -5.307212 0.363045 -0.312757
C -5.651478 0.257619 1.059225
C -6.332576 0.687138 -1.234274
C -6.997098 0.459267 1.441718
C -7.648747 0.868690 -0.758234
H 3.766860 2.032141 0.963797
H 5.479461 1.195417 -1.478097
H 6.083829 1.839706 0.053178
H 2.799341 0.867756 -1.605826
H 4.071428 3.312865 -1.841355
H 4.778415 3.956419 -0.330716
H 3.000318 3.878270 -0.521028
H 0.877679 -1.167105 -0.250696
H 0.736603 -0.015679 -1.608259
H -0.718850 0.244517 1.102525
H -1.029362 1.261879 -0.339291
H 4.081417 0.067637 1.888633
H 6.741887 -0.848756 -1.429474
H 4.405462 -2.227794 2.778707
H 7.059452 -3.161316 -0.534376
H -1.713314 -0.825846 -1.507457
H 5.893986 -3.865087 1.582539
H -3.342744 -1.060879 0.766156
H -4.900409 0.060834 1.832253
H -6.084765 0.798515 -2.293878
H -7.295001 0.390124 2.493926
H -8.465042 1.115272 -1.445879


