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	hartrees
Energy at 0K	-250.709203
Energy at 298.15K	-250.720473
HF Energy	-250.709203
Nuclear repulsion energy	238.968645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3492	3361	0.35
2	A	3170	3051	46.52
3	A	3146	3028	14.90
4	A	3094	2978	44.79
5	A	3064	2949	29.65
6	A	3049	2934	71.51
7	A	3034	2920	13.15
8	A	3003	2890	61.36
9	A	3002	2889	31.15
10	A	1709	1645	4.75
11	A	1505	1449	2.85
12	A	1493	1437	1.61
13	A	1489	1433	5.27
14	A	1483	1427	8.07
15	A	1420	1367	0.30
16	A	1391	1339	8.75
17	A	1368	1316	4.89
18	A	1351	1300	0.58
19	A	1327	1277	0.32
20	A	1258	1211	3.72
21	A	1211	1166	10.28
22	A	1192	1147	6.77
23	A	1120	1078	21.07
24	A	1103	1062	2.63
25	A	1043	1004	4.28
26	A	1003	965	5.24
27	A	993	956	0.06
28	A	975	938	5.88
29	A	913	878	6.38
30	A	891	858	7.39
31	A	852	820	18.38
32	A	796	766	90.49
33	A	751	723	42.11
34	A	644	620	28.15
35	A	517	498	1.17
36	A	473	455	0.58
37	A	392	377	0.95
38	A	284	273	8.71
39	A	161	155	2.10

Atom	x (Å)	y (Å)	z (Å)
H1	-1.447	2.083	0.135
C2	-0.799	1.210	0.058
H3	0.967	2.355	-0.098
C4	0.530	1.359	-0.055
H5	2.343	0.364	0.537
H6	1.879	0.075	-1.131
C7	1.476	0.179	-0.112
H8	0.635	-1.120	1.403
H9	1.353	-1.997	0.052
C10	0.757	-1.116	0.313
H11	-2.331	-0.166	-0.575
H12	-1.858	-0.339	1.105
C13	-1.463	-0.152	0.094
H14	-0.499	-1.306	-1.290
N15	-0.579	-1.262	-0.275

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	N15
H1		1.0899	2.4408	2.1145	4.1811	4.0867	3.4975	4.0254	4.9491	3.8886	2.5188	2.6406	2.2352	3.7969	3.4798
C2	1.0899		2.1104	1.3420	3.2890	3.1423	2.5037	3.0492	3.8622	2.8100	2.1547	2.1487	1.5158	2.8703	2.5040
H3	2.4408	2.1104		1.0891	2.5026	2.6646	2.2349	3.8007	4.3718	3.5018	4.1787	4.0847	3.4968	4.1202	3.9375
C4	2.1145	1.3420	1.0891		2.1507	2.1509	1.5130	2.8777	3.4565	2.5118	3.2836	3.1508	2.5052	3.1123	2.8538
H5	4.1811	3.2890	2.5026	2.1507		1.7558	1.0986	2.4229	2.6056	2.1810	4.8337	4.2968	3.8662	3.7690	3.4410
H6	4.0867	3.1423	2.6646	2.1509	1.7558		1.1007	3.0657	2.4427	2.1819	4.2532	4.3741	3.5667	2.7545	2.9255
C7	3.4975	2.5037	2.2349	1.5130	1.0986	1.1007		2.1664	2.1858	1.5413	3.8509	3.5869	2.9651	2.7380	2.5154
H8	4.0254	3.0492	3.8007	2.8777	2.4229	3.0657	2.1664		1.7636	1.0974	3.6908	2.6294	2.6556	2.9279	2.0763
H9	4.9491	3.8622	4.3718	3.4565	2.6056	2.4427	2.1858	1.7636		1.0953	4.1614	3.7640	3.3669	2.3891	2.0929
C10	3.8886	2.8100	3.5018	2.5118	2.1810	2.1819	1.5413	1.0974	1.0953		3.3503	2.8403	2.4298	2.0448	1.4666
H11	2.5188	2.1547	4.1787	3.2836	4.8337	4.2532	3.8509	3.6908	4.1614	3.3503		1.7540	1.0964	2.2728	2.0880
H12	2.6406	2.1487	4.0847	3.1508	4.2968	4.3741	3.5869	2.6294	3.7640	2.8403	1.7540		1.1008	2.9180	2.0957
C13	2.2352	1.5158	3.4968	2.5052	3.8662	3.5667	2.9651	2.6556	3.3669	2.4298	1.0964	1.1008		2.0437	1.4662
H14	3.7969	2.8703	4.1202	3.1123	3.7690	2.7545	2.7380	2.9279	2.3891	2.0448	2.2728	2.9180	2.0437		1.0184
N15	3.4798	2.5040	3.9375	2.8538	3.4410	2.9255	2.5154	2.0763	2.0929	1.4666	2.0880	2.0957	1.4662	1.0184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.441	H1	C2	C13	117.202
C2	C4	H3	120.108	C2	C4	C7	122.437
C2	C13	H11	110.106	C2	C13	H12	109.381
C2	C13	N15	114.201	H3	C4	C7	117.452
C4	C2	C13	122.355	C4	C7	H5	109.864
C4	C7	H6	109.759	C4	C7	C10	110.641
H5	C7	H6	105.950	H5	C7	C10	110.284
H6	C7	C10	110.238	C7	C10	H8	109.212
C7	C10	H9	110.860	C7	C10	N15	113.468
H8	C10	H9	107.082	H8	C10	N15	107.273
H9	C10	N15	108.691	C10	N15	C13	111.887
C10	N15	H14	109.413	H11	C13	H12	105.932
H11	C13	N15	108.270	H12	C13	N15	108.612
C13	N15	H14	109.358

All results from a given calculation for C₅H₉N (1,2,3,6-Tetrahydropyridine)

using model chemistry: TPSSh/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	H	0.140
2	C	0.055
3	H	0.142
4	C	-0.111
5	H	0.154
6	H	0.160
7	C	-0.356
8	H	0.158
9	H	0.150
10	C	-0.278
11	H	0.152
12	H	0.164
13	C	-0.459
14	H	0.300
15	N	-0.372

	x	y	z	Total
	0.583	0.807	-0.472	1.101
CHELPG
AIM
ESP

	x	y	z
x	11.479	0.030	-0.228
y	0.030	9.613	0.024
z	-0.228	0.024	7.806

<r²>	148.173
(<r²>)^1/2	12.173

All results from a given calculation for C5H9N (1,2,3,6-Tetrahydropyridine)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for C₅H₉N (1,2,3,6-Tetrahydropyridine)