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	hartrees
Energy at 0K	-42.341890
Energy at 298.15K	-42.353578
Nuclear repulsion energy	130.722575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3377	0.48
2	A	3331	3009	53.41
3	A	3305	2986	21.53
4	A	3244	2931	78.88
5	A	3224	2913	53.50
6	A	3208	2898	105.64
7	A	3192	2883	23.74
8	A	3179	2872	70.12
9	A	3161	2856	59.34
10	A	1838	1661	3.06
11	A	1638	1480	11.57
12	A	1634	1476	1.11
13	A	1623	1466	3.05
14	A	1616	1460	1.91
15	A	1535	1386	3.23
16	A	1531	1384	18.08
17	A	1499	1354	3.87
18	A	1468	1327	0.12
19	A	1441	1302	1.84
20	A	1364	1232	5.61
21	A	1304	1178	20.52
22	A	1291	1166	4.85
23	A	1223	1104	19.88
24	A	1207	1091	3.70
25	A	1115	1008	2.60
26	A	1102	996	0.90
27	A	1085	980	13.72
28	A	1061	958	14.78
29	A	973	879	21.95
30	A	948	856	5.51
31	A	914	826	58.57
32	A	879	794	49.47
33	A	818	739	39.52
34	A	712	643	23.80
35	A	558	504	0.85
36	A	513	464	0.78
37	A	426	385	1.11
38	A	310	280	9.28
39	A	183	165	1.77

Atom	x (Å)	y (Å)	z (Å)
H1	-1.577	1.987	0.127
C2	-0.878	1.165	0.057
H3	0.782	2.422	-0.097
C4	0.424	1.404	-0.051
H5	2.295	0.528	0.536
H6	1.855	0.213	-1.121
C7	1.451	0.289	-0.110
H8	0.701	-1.063	1.398
H9	1.475	-1.879	0.059
C10	0.822	-1.049	0.317
H11	-2.310	-0.311	-0.566
H12	-1.824	-0.454	1.099
C13	-1.451	-0.243	0.097
H14	-0.401	-1.291	-1.278
N15	-0.494	-1.283	-0.278

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	N15
H1		1.0804	2.4088	2.0909	4.1571	4.0592	3.4795	4.0133	4.9256	3.8742	2.5088	2.6390	2.2330	3.7546	3.4681
C2	1.0804		2.0879	1.3281	3.2717	3.1247	2.4946	3.0431	3.8479	2.8044	2.1480	2.1455	1.5202	2.8357	2.5009
H3	2.4088	2.0879		1.0799	2.5049	2.6606	2.2358	3.7929	4.3594	3.4961	4.1526	4.0610	3.4815	4.0719	3.9227
C4	2.0909	1.3281	1.0799		2.1479	2.1474	1.5179	2.8751	3.4494	2.5130	3.2673	3.1351	2.4993	3.0738	2.8487
H5	4.1571	3.2717	2.5049	2.1479		1.7436	1.0893	2.4114	2.5877	2.1692	4.8082	4.2715	3.8490	3.7240	3.4235
H6	4.0592	3.1247	2.6606	2.1474	1.7436		1.0914	3.0508	2.4324	2.1747	4.2337	4.3484	3.5522	2.7160	2.9097
C7	3.4795	2.4946	2.2358	1.5179	1.0893	1.0914		2.1597	2.1746	1.5389	3.8354	3.5693	2.9573	2.7000	2.5063
H8	4.0133	3.0431	3.7929	2.8751	2.4114	3.0508	2.1597		1.7485	1.0880	3.6731	2.6148	2.6452	2.9031	2.0705
H9	4.9256	3.8479	4.3594	3.4494	2.5877	2.4324	2.1746	1.7485		1.0867	4.1443	3.7409	3.3525	2.3777	2.0845
C10	3.8742	2.8044	3.4961	2.5130	2.1692	2.1747	1.5389	1.0880	1.0867		3.3370	2.8229	2.4219	2.0245	1.4633
H11	2.5088	2.1480	4.1526	3.2673	4.8082	4.2337	3.8354	3.6731	4.1443	3.3370		1.7406	1.0875	2.2605	2.0800
H12	2.6390	2.1455	4.0610	3.1351	4.2715	4.3484	3.5693	2.6148	3.7409	2.8229	1.7406		1.0899	2.8937	2.0864
C13	2.2330	1.5202	3.4815	2.4993	3.8490	3.5522	2.9573	2.6452	3.3525	2.4219	1.0875	1.0899		2.0226	1.4626
H14	3.7546	2.8357	4.0719	3.0738	3.7240	2.7160	2.7000	2.9031	2.3777	2.0245	2.2605	2.8937	2.0226		1.0039
N15	3.4681	2.5009	3.9227	2.8487	3.4235	2.9097	2.5063	2.0705	2.0845	1.4633	2.0800	2.0864	1.4626	1.0039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.136	H1	C2	C13	117.325
C2	C4	H3	119.887	C2	C4	C7	122.313
C2	C13	H11	109.812	C2	C13	H12	109.465
C2	C13	N15	113.940	H3	C4	C7	117.799
C4	C2	C13	122.538	C4	C7	H5	109.850
C4	C7	H6	109.685	C4	C7	C10	110.591
H5	C7	H6	106.171	H5	C7	C10	110.069
H6	C7	C10	110.380	C7	C10	H8	109.400
C7	C10	H9	110.654	C7	C10	N15	113.173
H8	C10	H9	107.034	H8	C10	N15	107.585
H9	C10	N15	108.768	C10	N15	C13	111.743
C10	N15	H14	108.858	H11	C13	H12	106.144
H11	C13	N15	108.411	H12	C13	N15	108.770
C13	N15	H14	108.750

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

using model chemistry: HF/CEP-121G*

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	0.203
2	C	-0.253
3	H	0.209
4	C	-0.196
5	H	0.162
6	H	0.147
7	C	-0.313
8	H	0.157
9	H	0.189
10	C	-0.231
11	H	0.175
12	H	0.162
13	C	-0.219
14	H	0.299
15	N	-0.492

	x	y	z	Total
	0.537	0.919	-0.501	1.176
CHELPG
AIM
ESP

	x	y	z
x	10.600	0.102	-0.231
y	0.102	8.243	0.011
z	-0.231	0.011	6.884

<r²>	122.403
(<r²>)^1/2	11.064

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

using model chemistry: HF/CEP-121G*

States and conformations

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