%chk=000216495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216495

0 1
O 0.617080 -3.070315 -0.932033
N 2.806752 -0.896069 0.801022
N 0.059948 -1.181921 0.232760
C 3.168509 -0.600852 2.224760
C 3.942193 -0.615148 -0.134668
C 2.904426 0.902435 2.503712
C 3.412355 -0.393844 -1.575022
C 2.266158 -2.274435 0.630662
C 3.601047 1.313644 3.806200
C 1.401110 1.191254 2.576376
C 4.588961 -0.431260 -2.559270
C 2.653260 0.931041 -1.683268
C 0.933992 -2.208163 -0.124998
C -1.200649 -0.980172 -0.529877
C -2.372886 -0.692024 0.394421
C -0.965469 0.116411 -1.558898
C -2.341005 -1.025930 1.754730
C -0.673529 -0.242283 -2.882378
C -3.542140 -0.133489 -0.149471
C -0.994749 1.470008 -1.194376
C -3.456001 -0.785467 2.564714
C -0.425797 0.748634 -3.836599
C -4.653257 0.102898 0.661762
C -0.745464 2.457231 -2.151352
C -4.612364 -0.219194 2.022850
C -0.462456 2.098648 -3.473504
H 4.223906 -0.853470 2.459167
H 2.546550 -1.214725 2.910270
H 4.460926 0.307576 0.206258
H 4.705017 -1.422552 -0.130544
H 3.335852 1.502213 1.662366
H 2.709577 -1.224956 -1.836981
H 2.943217 -2.950844 0.058609
H 2.083135 -2.786052 1.601608
H 3.239168 0.736171 4.663668
H 3.419369 2.370900 4.031671
H 4.685697 1.176755 3.747426
H 0.924308 0.681514 3.419738
H 1.205667 2.263041 2.685885
H 0.896650 0.856623 1.655763
H 5.333746 0.339596 -2.336960
H 4.242441 -0.258268 -3.584939
H 5.096115 -1.401264 -2.548975
H 3.308099 1.795151 -1.542054
H 2.168033 1.034605 -2.660769
H 1.860499 0.988728 -0.925099
H -1.437104 -1.955611 -1.062282
H 0.421226 -0.363292 0.747223
H -1.453877 -1.485565 2.189620
H -0.628651 -1.295288 -3.165678
H -3.584341 0.118702 -1.209413
H -1.222009 1.752017 -0.166935
H -3.421449 -1.046451 3.621015
H -0.202404 0.466385 -4.864184
H -5.554549 0.537440 0.232531
H -0.772283 3.507452 -1.866521
H -5.478675 -0.033588 2.653901
H -0.270880 2.868818 -4.217841


%chk=000216495-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216495

0 1
O 0.158512 -3.406354 -0.561254
N 2.724995 -0.928153 0.483123
N 0.094271 -1.094425 -0.185408
C 2.640339 -0.919641 1.974743
C 4.067615 -0.530234 -0.030211
C 2.730723 0.477019 2.643108
C 4.088793 -0.081277 -1.514779
C 2.259396 -2.228433 -0.064193
C 2.591095 0.309613 4.175725
C 1.674725 1.462619 2.094930
C 5.554662 0.145123 -1.957200
C 3.236326 1.185753 -1.747652
C 0.734165 -2.308658 -0.282469
C -1.327796 -0.905551 -0.533695
C -2.169470 -0.434552 0.666800
C -1.426668 -0.010348 -1.777102
C -1.775789 -0.748922 1.991188
C -1.623358 -0.593139 -3.052710
C -3.404290 0.235369 0.468603
C -1.245378 1.394284 -1.686697
C -2.585517 -0.391531 3.092365
C -1.640690 0.208266 -4.217280
C -4.216564 0.592833 1.567614
C -1.256131 2.196884 -2.848085
C -3.810019 0.283783 2.886019
C -1.454868 1.606334 -4.118704
H 3.428848 -1.579765 2.417779
H 1.664087 -1.367690 2.247435
H 4.425281 0.319031 0.580949
H 4.805705 -1.359707 0.110726
H 3.736214 0.902851 2.445626
H 3.669836 -0.895542 -2.142288
H 2.717529 -2.401015 -1.054833
H 2.549083 -3.095990 0.570069
H 1.589503 -0.083698 4.437063
H 2.714749 1.280021 4.689895
H 3.347711 -0.389047 4.580245
H 0.650721 1.083109 2.276577
H 1.761885 2.445646 2.593927
H 1.800647 1.617747 1.008413
H 6.026873 0.948298 -1.358538
H 5.601987 0.447206 -3.019101
H 6.162495 -0.771257 -1.835634
H 3.626540 2.033940 -1.151131
H 3.255978 1.482689 -2.812542
H 2.183123 1.018893 -1.462080
H -1.680672 -1.921482 -0.807664
H 0.715691 -0.293789 0.003183
H -0.834728 -1.285708 2.153584
H -1.755325 -1.679108 -3.132243
H -3.730900 0.479585 -0.548274
H -1.108945 1.861625 -0.703348
H -2.264168 -0.645724 4.109068
H -1.798116 -0.256826 -5.196940
H -5.166624 1.111112 1.394313
H -1.114265 3.280372 -2.763749
H -4.439632 0.561691 3.738740
H -1.467190 2.229271 -5.020206


