168
/angle-scan pbe-d3-relax-nbo
Np	0.030117	3.412019	15.302865
C	-2.053132	2.791227	14.002664
H	-2.541276	3.776261	13.939427
H	-1.753268	2.454718	13.001377
C	-2.824543	1.800513	14.745567
C	-2.781925	0.419233	14.421849
H	-2.177870	0.100185	13.568594
C	-3.513719	-0.526012	15.135312
H	-3.464364	-1.576684	14.838026
C	-4.315661	-0.145577	16.218070
H	-4.894444	-0.886939	16.771211
C	-4.363344	1.208060	16.569946
H	-4.979604	1.530485	17.413119
C	-3.633362	2.155794	15.857488
H	-3.699220	3.207292	16.143911
P	2.358586	2.687796	12.557255
N	1.485074	3.207639	13.750872
N	2.973531	1.114787	12.624120
N	3.915194	3.370916	12.304529
N	1.519847	2.809121	11.101016
C	4.426932	1.055682	12.536628
H	4.756012	0.724389	11.531812
H	4.843529	0.348381	13.271060
C	4.935785	2.464188	12.830347
H	5.084458	2.586291	13.919564
H	5.902751	2.634041	12.334088
C	2.221353	-0.108034	13.001831
C	2.390579	-0.372745	14.509136
H	3.453930	-0.479781	14.772678
H	1.878312	-1.300356	14.804338
H	1.971592	0.458166	15.094873
C	2.759095	-1.300466	12.190025
H	2.674354	-1.105639	11.110794
H	2.171572	-2.199617	12.423643
H	3.810096	-1.522742	12.421706
C	0.729319	0.046812	12.679302
H	0.290804	0.910881	13.195364
H	0.195710	-0.854183	13.012493
H	0.566052	0.171334	11.600396
C	4.165792	4.832729	12.455419
C	4.380906	5.220747	13.931272
H	3.499483	4.949203	14.527328
H	4.544447	6.304472	14.016585
H	5.262033	4.721533	14.358565
C	5.413762	5.200970	11.634134
H	6.324177	4.727890	12.028440
H	5.570971	6.288797	11.663783
H	5.290399	4.896164	10.584849
C	2.973304	5.628108	11.904192
H	2.793731	5.400820	10.845733
H	3.185876	6.702635	11.993859
H	2.058157	5.414283	12.472516
C	2.096098	2.240805	9.882594
H	1.348419	1.580496	9.406394
H	2.926086	1.587587	10.183625
C	2.597740	3.264637	8.862921
H	2.974258	2.749318	7.966830
H	3.417359	3.862271	9.284236
H	1.799852	3.949271	8.540187
P	1.326469	1.755668	18.371401
N	0.744130	2.406196	17.066335
N	3.009163	1.469452	18.520475
N	0.945699	0.133614	18.675991
N	0.923915	2.672621	19.726819
C	3.295196	0.061443	18.243798
H	4.233947	-0.247387	18.726593
H	3.386002	-0.140902	17.160022
C	2.117180	-0.720091	18.819881
H	1.994207	-1.666137	18.269529
H	2.300083	-0.975078	19.882272
C	4.034794	2.467446	18.108829
C	4.297219	2.415670	16.591402
H	4.682404	1.433284	16.281466
H	5.051070	3.168170	16.317478
H	3.377476	2.620120	16.025202
C	5.339202	2.172385	18.871296
H	5.155281	2.151789	19.955247
H	6.077911	2.958527	18.658585
H	5.788050	1.214034	18.574417
C	3.573321	3.880362	18.487055
H	2.640077	4.145993	17.974304
H	4.344373	4.603169	18.185225
H	3.415893	3.969143	19.570284
C	-0.387610	-0.489129	18.475920
C	-0.488158	-1.059390	17.049805
H	-0.394522	-0.249727	16.314389
H	-1.458625	-1.549734	16.891654
H	0.304391	-1.799549	16.860022
C	-1.501970	0.544799	18.688045
H	-1.491068	0.938819	19.713321
H	-2.474560	0.069730	18.504031
H	-1.411282	1.383583	17.986450
C	-0.575994	-1.616521	19.506696
H	0.148540	-2.432009	19.370635
H	-1.582006	-2.045877	19.398948
H	-0.474060	-1.231844	20.532126
C	1.390593	2.254907	21.048015
H	1.930834	3.094309	21.524794
H	2.142034	1.468146	20.895767
C	0.296019	1.754770	21.991505
H	-0.202657	0.867268	21.579148
H	-0.470887	2.521119	22.176831
H	0.733634	1.481980	22.963247
C	-0.043643	3.764207	19.658577
H	-1.018849	3.447384	20.077086
H	-0.211325	3.968166	18.593085
C	0.413526	5.043382	20.358383
H	1.352221	5.418156	19.926325
H	0.565235	4.903379	21.438951
H	-0.355856	5.819449	20.235232
P	-0.798001	6.981153	15.881825
N	-0.388874	5.478543	15.693164
N	-2.006912	7.333134	17.021266
N	0.303015	8.080178	16.599046
N	-1.222139	7.681841	14.409736
C	-1.548213	8.196534	18.101605
H	-1.962225	9.218301	17.999098
H	-1.859024	7.812445	19.087008
C	-0.023339	8.222241	18.019138
H	0.401085	7.401163	18.626519
H	0.365238	9.171537	18.414717
C	-3.279545	6.587412	17.178128
C	-3.758144	6.063345	15.816738
H	-3.974412	6.886884	15.124582
H	-4.677973	5.477802	15.953133
H	-3.005785	5.410873	15.355438
C	-3.079356	5.400025	18.139862
H	-2.330355	4.708750	17.730938
H	-4.020157	4.850124	18.291242
H	-2.729989	5.741012	19.125949
C	-4.357241	7.536001	17.731745
H	-4.116878	7.895822	18.742025
H	-5.318580	7.006210	17.789441
H	-4.484607	8.408921	17.074965
C	1.748177	8.113734	16.230568
C	1.898992	7.986701	14.709853
H	1.542947	7.011574	14.353700
H	2.962547	8.075043	14.448428
H	1.346881	8.779328	14.187868
C	2.529123	6.972261	16.907966
H	2.497633	7.049512	18.004344
H	3.585785	6.996845	16.604676
H	2.102414	6.003438	16.616432
C	2.328992	9.473067	16.657405
H	1.744419	10.297013	16.222731
H	3.366128	9.557971	16.302776
H	2.347365	9.594618	17.749389
C	-1.545314	9.107105	14.342839
H	-0.919741	9.581170	13.563898
H	-1.229841	9.557639	15.293776
C	-3.015958	9.430377	14.075213
H	-3.373491	8.982983	13.136328
H	-3.150739	10.519280	13.995121
H	-3.654149	9.067735	14.892244
C	-1.439435	6.877450	13.208414
H	-1.114362	5.858109	13.455279
H	-2.520376	6.815272	12.977526
C	-0.685706	7.371156	11.973601
H	-0.868102	6.681963	11.136172
H	0.397190	7.405033	12.154326
H	-1.013242	8.370988	11.652801
C	0.309442	3.615869	10.964026
H	0.524066	4.543015	10.397411
H	0.027966	3.925562	11.979144
C	-0.857093	2.880667	10.305423
H	-0.656318	2.632284	9.252730
H	-1.753529	3.516964	10.329341
H	-1.090996	1.948909	10.839259