%chk=000218528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218528

0 1
O -0.014534 0.001480 1.204844
N -1.303120 -0.001407 -0.699171
N 1.062030 -0.002229 -0.866616
C -2.585996 0.000828 0.062486
C -3.392106 1.270782 -0.282331
C -3.395560 -1.267267 -0.281065
C -2.721772 2.541245 0.257120
C -2.728672 -2.539038 0.259587
C -3.556079 3.786006 -0.033624
C -3.566254 -3.781829 -0.030171
C -0.079744 -0.000595 -0.014390
C 2.419898 -0.001865 -0.418540
C 3.420133 -0.003703 -1.415186
C 2.772587 0.000228 0.942402
C 4.762581 -0.003417 -1.034519
C 4.121361 0.000471 1.296800
C 5.120318 -0.001340 0.316935
H -2.336329 0.001060 1.161641
H -3.539820 1.356217 -1.374904
H -4.409732 1.180641 0.146533
H -3.543586 -1.353362 -1.373547
H -4.412919 -1.173927 0.147767
H -1.711887 2.653208 -0.185312
H -2.556052 2.445598 1.349392
H -2.562855 -2.442877 1.351796
H -1.719036 -2.654071 -0.182625
H -1.367098 -0.002597 -1.707878
H -4.546615 3.728496 0.431623
H -3.705539 3.933305 -1.108860
H -3.065991 4.686714 0.354724
H -3.078639 -4.683497 0.359061
H -4.556708 -3.721256 0.434864
H -3.715941 -3.929694 -1.105298
H 0.929274 -0.003955 -1.877561
H 3.159499 -0.005326 -2.469060
H 1.997793 0.001650 1.717187
H 5.536987 -0.004832 -1.801047
H 4.396208 0.002091 2.351874
H 6.167917 -0.001133 0.605166


%chk=000218528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218528

0 1
O -0.044877 0.001079 1.391041
N -1.305827 -0.000419 -0.579376
N 1.031714 -0.001596 -0.716533
C -2.620217 0.001317 0.098437
C -3.417313 1.287603 -0.243831
C -3.419913 -1.283676 -0.242578
C -2.734970 2.590092 0.228963
C -2.740805 -2.586980 0.232588
C -3.543278 3.852397 -0.139492
C -3.551145 -3.848110 -0.135426
C -0.100511 -0.000023 0.123656
C 2.402322 -0.001944 -0.339101
C 3.365037 -0.003315 -1.387058
C 2.842370 -0.000981 1.012668
C 4.743206 -0.003713 -1.092514
C 4.226698 -0.001398 1.288888
C 5.186332 -0.002754 0.250670
H -2.381394 0.001647 1.178926
H -3.592570 1.332758 -1.341181
H -4.419499 1.208023 0.224599
H -3.594400 -1.330003 -1.340005
H -4.422299 -1.201236 0.224927
H -1.720540 2.653170 -0.210889
H -2.589904 2.544140 1.326534
H -2.597053 -2.540049 1.330295
H -1.725940 -2.652607 -0.205902
H -1.311958 -0.001391 -1.601729
H -4.550717 3.829017 0.317796
H -3.675830 3.935791 -1.235267
H -3.036207 4.770508 0.209339
H -3.046329 -4.766815 0.215108
H -4.559125 -3.822229 0.320539
H -3.682455 -3.932507 -1.231274
H 0.865633 -0.002569 -1.725236
H 3.032228 -0.004051 -2.434109
H 2.101731 0.000087 1.814053
H 5.469364 -0.004762 -1.913244
H 4.555580 -0.000643 2.334511
H 6.256863 -0.003056 0.481307


