%chk=000246976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246976

0 1
N -1.159944 1.090876 0.000032
N -0.778578 -1.716689 -0.002354
C 0.070515 0.562877 0.000399
C 0.268705 -0.882147 -0.000798
C 1.238400 1.455722 0.002029
C 1.632030 -1.430408 -0.000267
C 2.540795 0.905850 0.002531
C 2.739877 -0.552343 0.001415
C -2.250136 0.242281 -0.001521
C -2.048953 -1.177171 -0.002753
C -3.591886 0.776343 -0.001890
C 1.065466 2.855565 0.003079
C -4.659778 -0.105102 -0.003480
C 1.838730 -2.825635 -0.001402
C 3.643740 1.786535 0.004095
C 4.037996 -1.106160 0.001976
C -3.181806 -2.054459 -0.004384
C -4.441176 -1.522966 -0.004724
C 2.166707 3.703891 0.004614
C 3.462055 3.164894 0.005122
C 3.126728 -3.348652 -0.000849
C 4.230918 -2.483093 0.000864
C -3.804912 2.253393 -0.000232
C -6.070861 0.388738 -0.003490
H 0.052635 3.268678 0.002680
H 0.972402 -3.494291 -0.002729
H 4.656422 1.378237 0.004502
H 4.904850 -0.442365 0.003297
H -3.002995 -3.130492 -0.005344
H -5.313583 -2.178184 -0.005971
H 2.026854 4.783598 0.005417
H 3.280296 -4.426582 -0.001741
H 4.325204 3.829526 0.006324
H 5.240245 -2.893019 0.001318
H -4.363600 2.575361 0.889741
H -2.857541 2.816784 -0.002329
H -4.368517 2.577020 -0.886470
H -6.807397 -0.424781 -0.011274
H -6.278071 1.002472 0.885876
H -6.274137 1.015496 -0.884609


%chk=000246976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246976

0 1
N -1.167178 1.091989 0.000058
N -0.771994 -1.741275 -0.002373
C 0.079146 0.555344 0.000437
C 0.281827 -0.885549 -0.000763
C 1.243095 1.452914 0.002072
C 1.644817 -1.433411 -0.000250
C 2.571184 0.912030 0.002530
C 2.775584 -0.552479 0.001372
C -2.250753 0.238046 -0.001513
C -2.040402 -1.202217 -0.002778
C -3.588681 0.779193 -0.001892
C 1.045585 2.862185 0.003191
C -4.681200 -0.112909 -0.003551
C 1.835446 -2.843529 -0.001374
C 3.663855 1.827713 0.004119
C 4.075994 -1.136954 0.001812
C -3.170116 -2.075194 -0.004454
C -4.453693 -1.532841 -0.004860
C 2.137649 3.741915 0.004742
C 3.457030 3.216910 0.005206
C 3.125596 -3.393442 -0.000912
C 4.253269 -2.530357 0.000696
C -3.796770 2.279241 -0.000193
C -6.106226 0.408396 -0.003430
H 0.016141 3.230280 0.002789
H 0.943661 -3.476213 -0.002597
H 4.691580 1.454396 0.004522
H 4.964238 -0.499047 0.003045
H -2.990647 -3.154271 -0.005414
H -5.324749 -2.198795 -0.006204
H 1.975508 4.825053 0.005586
H 3.263171 -4.479966 -0.001781
H 4.317598 3.895042 0.006414
H 5.265467 -2.949688 0.001078
H -4.370292 2.604623 0.889385
H -2.824799 2.794231 -0.000764
H -4.372600 2.606436 -0.887571
H -6.836068 -0.418500 -0.009674
H -6.308499 1.034845 0.886721
H -6.305076 1.045452 -0.886726


