%chk=000182213.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182213

0 1
O -4.905748 -0.543994 -2.600655
N -2.289320 0.015457 -1.021219
N -2.254948 -0.168538 1.265684
N -4.652976 -0.860187 1.521485
N -5.899976 -1.011074 -0.570159
N -7.006456 -1.317961 1.504592
C 2.270895 -0.045792 0.039532
C 0.886147 -0.448921 0.118355
C 2.614655 1.314636 -0.028608
C 3.304561 -1.055028 0.025102
C -0.105878 0.518923 0.108446
C 1.578597 2.316971 -0.011632
C 0.218872 1.918633 0.065733
C 2.967170 -2.441888 0.094486
C 4.667566 -0.673298 -0.060153
C 0.585460 -1.876012 0.198204
C 4.011243 1.675747 -0.113624
C -1.520133 0.127725 0.144945
C 1.559773 -2.810039 0.187586
C 4.990505 0.732133 -0.128753
C 1.883047 3.713589 -0.068059
C -0.799991 2.923868 0.102766
C 3.978105 -3.401282 0.076127
C 5.671663 -1.670312 -0.076458
C 5.327428 -3.011439 -0.009576
C -3.574428 -0.366852 -0.628237
C 0.887423 4.658327 -0.041384
C -0.474412 4.256442 0.049884
C -3.524516 -0.474408 0.785133
C -4.801558 -0.624462 -1.399982
C -5.835393 -1.074480 0.752031
H -0.464800 -2.163695 0.286350
H 4.261496 2.738116 -0.164887
H 1.324754 -3.873702 0.252597
H 6.042156 1.013347 -0.192608
H 2.930076 4.017415 -0.131340
H -1.843525 2.618412 0.191123
H 3.730747 -4.461027 0.128596
H 6.717873 -1.374033 -0.141958
H -2.005279 0.175106 -1.974481
H 6.102938 -3.777201 -0.022502
H 1.122220 5.720860 -0.085065
H -1.249515 5.022037 0.080473
H -4.635978 -0.815504 2.537802
H -7.832051 -1.522396 0.937535
H -6.925186 -1.937419 2.301072


%chk=000182213-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182213

0 1
O -5.264236 0.761120 -2.195416
N -2.484823 0.557652 -0.814284
N -2.168192 -0.637638 1.094807
N -4.535536 -1.385765 1.303190
N -6.048351 -0.617437 -0.434131
N -6.834106 -1.966341 1.301807
C 2.277792 -0.062540 0.058958
C 0.878002 -0.448287 0.176438
C 2.641497 1.312444 -0.128940
C 3.302643 -1.077782 0.108237
C -0.136485 0.545874 0.111949
C 1.605874 2.329826 -0.169350
C 0.216100 1.943443 -0.025831
C 2.953857 -2.466699 0.275571
C 4.693073 -0.717359 -0.015155
C 0.565872 -1.858601 0.332777
C 4.040284 1.640581 -0.257215
C -1.561921 0.156899 0.153845
C 1.554475 -2.818295 0.380515
C 5.027047 0.669822 -0.199007
C 1.913445 3.721201 -0.324814
C -0.782296 2.979817 0.016827
C 3.976929 -3.447028 0.325243
C 5.694035 -1.730762 0.040023
C 5.338048 -3.080721 0.210103
C -3.728102 0.014566 -0.490781
C 0.918450 4.700570 -0.317512
C -0.444503 4.325371 -0.126918
C -3.486653 -0.708893 0.686014
C -5.040060 0.106337 -1.131626
C -5.795142 -1.295356 0.685412
H -0.481612 -2.147559 0.436064
H 4.341002 2.681205 -0.401256
H 1.290107 -3.875282 0.502376
H 6.082455 0.949674 -0.296207
H 2.952814 4.036639 -0.446942
H -1.826776 2.713089 0.200034
H 3.700433 -4.499942 0.453646
H 6.747717 -1.444045 -0.054654
H -2.295151 1.126479 -1.640283
H 6.115376 -3.851107 0.251061
H 1.184827 5.755719 -0.439991
H -1.223800 5.093521 -0.082871
H -4.368088 -1.906864 2.165136
H -7.743185 -1.894235 0.851404
H -6.729832 -2.506510 2.156045


