%chk=000216254.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216254

0 1
O -3.619288 4.003521 0.229592
O 5.543510 -0.563487 1.042498
N -0.460638 -0.293615 -1.184958
N -4.919617 -3.020337 1.489816
C -2.083156 -0.771494 0.357711
C -1.017327 -1.303592 -0.370294
C -1.142872 0.918717 -0.923666
C -2.184124 0.625291 0.026330
C 0.765917 -0.414315 -1.992898
C -2.964886 -1.505393 1.299473
C -0.492002 -2.685199 -0.378953
C -3.051488 1.652753 0.439813
C -0.957133 2.208845 -1.454113
C 2.019109 -0.422391 -1.150257
C -4.137476 -2.165160 0.547718
C -2.838451 2.913616 -0.100708
C -1.810483 3.212917 -1.036746
C 2.965093 -1.450559 -1.315500
C 2.254638 0.593913 -0.215832
C 4.134435 -1.463279 -0.565445
C 3.420992 0.602645 0.553901
C 4.350625 -0.428303 0.369463
C 5.873898 0.431006 2.042271
H 0.807845 0.434148 -2.718513
H 0.692987 -1.342891 -2.608408
H -3.346279 -0.817810 2.081276
H -2.392361 -2.283960 1.848977
H 0.581215 -2.714958 -0.130333
H -1.013525 -3.313073 0.362790
H -0.624674 -3.170522 -1.356547
H -3.842892 1.448173 1.149174
H -0.165346 2.408698 -2.171377
H -4.747423 -1.383672 0.046134
H -3.740665 -2.823629 -0.257124
H -1.723004 4.232810 -1.403751
H 2.785920 -2.246064 -2.039081
H 1.515638 1.387069 -0.076821
H -5.725131 -3.417893 1.016157
H -5.276521 -2.468469 2.263670
H 4.880604 -2.246249 -0.679071
H 3.585301 1.395361 1.276056
H -4.320984 3.768017 0.880812
H 5.969384 1.417517 1.579980
H 6.845970 0.070020 2.403554
H 5.130966 0.424877 2.845030


%chk=000216254-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216254

0 1
O -3.741304 4.018780 0.055326
O 5.845673 -0.361619 0.843971
N -0.432038 -0.346832 -1.093189
N -5.213411 -2.771590 1.558498
C -2.126837 -0.804726 0.389199
C -1.024758 -1.346885 -0.289159
C -1.147754 0.852305 -0.923698
C -2.222294 0.587655 -0.005148
C 0.773288 -0.509476 -1.912220
C -3.069118 -1.534090 1.314808
C -0.476388 -2.744772 -0.260454
C -3.113804 1.638705 0.342444
C -0.946585 2.131318 -1.487937
C 2.089582 -0.467326 -1.130841
C -4.345004 -2.055927 0.601102
C -2.908197 2.909663 -0.229411
C -1.838304 3.161698 -1.135078
C 3.219450 -1.182342 -1.607303
C 2.226081 0.299955 0.047957
C 4.453214 -1.125813 -0.933857
C 3.456643 0.365645 0.740731
C 4.575710 -0.348341 0.245044
C 6.021674 0.419721 2.070417
H 0.760844 0.291897 -2.675517
H 0.708473 -1.463721 -2.468593
H -3.378982 -0.857872 2.139281
H -2.578738 -2.400597 1.795419
H 0.602224 -2.759247 -0.014388
H -1.006796 -3.341750 0.499082
H -0.600587 -3.262723 -1.232462
H -3.942747 1.462805 1.041042
H -0.120291 2.338391 -2.176648
H -4.838965 -1.197975 0.084092
H -4.041080 -2.768675 -0.188453
H -1.728981 4.171019 -1.541949
H 3.134295 -1.793387 -2.515117
H 1.361669 0.848444 0.438247
H -5.976854 -3.301503 1.127058
H -5.547118 -2.186573 2.331933
H 5.328017 -1.676439 -1.292868
H 3.527535 0.966838 1.652112
H -4.454605 3.756978 0.688313
H 5.837816 1.497142 1.891848
H 7.071287 0.265953 2.360785
H 5.354370 0.058887 2.877382


