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	hartrees
Energy at 0K	-250.575794
Energy at 298.15K	-250.587012
HF Energy	-250.575794
Nuclear repulsion energy	238.853814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3424	3375	1.61
2	A	3100	3055	52.11
3	A	3074	3030	16.90
4	A	3021	2978	51.63
5	A	2989	2947	36.43
6	A	2981	2938	85.56
7	A	2966	2924	19.79
8	A	2933	2891	46.74
9	A	2924	2883	56.76
10	A	1672	1648	2.85
11	A	1467	1446	4.92
12	A	1462	1441	1.99
13	A	1446	1425	8.50
14	A	1442	1422	0.97
15	A	1384	1364	0.57
16	A	1355	1335	4.49
17	A	1337	1318	3.86
18	A	1320	1301	1.04
19	A	1298	1279	0.23
20	A	1232	1215	4.25
21	A	1183	1166	7.16
22	A	1173	1156	4.39
23	A	1087	1072	10.29
24	A	1083	1068	18.27
25	A	1020	1006	3.01
26	A	988	974	8.32
27	A	964	950	0.06
28	A	957	944	3.89
29	A	891	878	5.46
30	A	871	859	3.74
31	A	840	828	31.08
32	A	786	774	77.70
33	A	743	733	25.11
34	A	631	622	25.50
35	A	517	509	0.99
36	A	477	470	0.39
37	A	388	383	1.16
38	A	289	284	7.06
39	A	155	153	1.74

Atom	x (Å)	y (Å)	z (Å)
H1	-1.449	2.082	0.144
C2	-0.800	1.208	0.060
H3	0.960	2.360	-0.096
C4	0.526	1.360	-0.054
H5	2.345	0.369	0.530
H6	1.871	0.074	-1.137
C7	1.471	0.183	-0.114
H8	0.630	-1.109	1.408
H9	1.362	-1.995	0.065
C10	0.758	-1.113	0.316
H11	-2.330	-0.167	-0.579
H12	-1.860	-0.343	1.103
C13	-1.459	-0.153	0.092
H14	-0.473	-1.265	-1.293
N15	-0.578	-1.273	-0.278

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	N15
H1		1.0917	2.4361	2.1123	4.1806	4.0857	3.4924	4.0123	4.9523	3.8871	2.5213	2.6399	2.2359	3.7709	3.4912
C2	1.0917		2.1084	1.3395	3.2886	3.1386	2.4973	3.0380	3.8641	2.8075	2.1544	2.1491	1.5130	2.8380	2.5134
H3	2.4361	2.1084		1.0908	2.5052	2.6719	2.2363	3.7954	4.3761	3.5035	4.1760	4.0858	3.4928	4.0775	3.9486
C4	2.1123	1.3395	1.0908		2.1518	2.1525	1.5100	2.8710	3.4588	2.5113	3.2810	3.1516	2.5002	3.0697	2.8632
H5	4.1806	3.2886	2.5052	2.1518		1.7571	1.1012	2.4289	2.6014	2.1819	4.8344	4.3034	3.8644	3.7324	3.4482
H6	4.0857	3.1386	2.6719	2.1525	1.7571		1.1037	3.0690	2.4460	2.1817	4.2447	4.3717	3.5565	2.7043	2.9238
C7	3.4924	2.4973	2.2363	1.5100	1.1012	1.1037		2.1666	2.1876	1.5406	3.8451	3.5850	2.9560	2.6954	2.5185
H8	4.0123	3.0380	3.7954	2.8710	2.4289	3.0690	2.1666		1.7680	1.0997	3.6871	2.6225	2.6471	2.9214	2.0806
H9	4.9523	3.8641	4.3761	3.4588	2.6014	2.4460	2.1876	1.7680		1.0975	4.1697	3.7667	3.3688	2.3964	2.0984
C10	3.8871	2.8075	3.5035	2.5113	2.1819	2.1817	1.5406	1.0997	1.0975		3.3515	2.8403	2.4262	2.0314	1.4709
H11	2.5213	2.1544	4.1760	3.2810	4.8344	4.2447	3.8451	3.6871	4.1697	3.3515		1.7552	1.0995	2.2723	2.0933
H12	2.6399	2.1491	4.0858	3.1516	4.3034	4.3717	3.5850	2.6225	3.7667	2.8403	1.7552		1.1044	2.9177	2.1013
C13	2.2359	1.5130	3.4928	2.5002	3.8644	3.5565	2.9560	2.6471	3.3688	2.4262	1.0995	1.1044		2.0309	1.4714
H14	3.7709	2.8380	4.0775	3.0697	3.7324	2.7043	2.6954	2.9214	2.3964	2.0314	2.2723	2.9177	2.0309		1.0198
N15	3.4912	2.5134	3.9486	2.8632	3.4482	2.9238	2.5185	2.0806	2.0984	1.4709	2.0933	2.1013	1.4714	1.0198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.222	H1	C2	C13	117.477
C2	C4	H3	119.882	C2	C4	C7	122.290
C2	C13	H11	110.085	C2	C13	H12	109.326
C2	C13	N15	114.717	H3	C4	C7	117.825
C4	C2	C13	122.298	C4	C7	H5	110.060
C4	C7	H6	109.852	C4	C7	C10	110.878
H5	C7	H6	105.631	H5	C7	C10	110.322
H6	C7	C10	109.968	C7	C10	H8	109.031
C7	C10	H9	111.070	C7	C10	N15	113.410
H8	C10	H9	107.013	H8	C10	N15	107.069
H9	C10	N15	108.976	C10	N15	C13	111.161
C10	N15	H14	108.012	H11	C13	H12	105.544
H11	C13	N15	108.335	H12	C13	N15	108.424
C13	N15	H14	107.921

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

using model chemistry: B97D3/6-311G**

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	0.085
2	C	-0.154
3	H	0.089
4	C	-0.107
5	H	0.110
6	H	0.110
7	C	-0.206
8	H	0.118
9	H	0.111
10	C	-0.132
11	H	0.114
12	H	0.124
13	C	-0.078
14	H	0.181
15	N	-0.365

	x	y	z	Total
	0.477	0.673	-0.461	0.945
CHELPG
AIM
ESP

	x	y	z
x	11.253	-0.106	-0.245
y	-0.106	9.109	0.050
z	-0.245	0.050	7.155

<r²>	148.043
(<r²>)^1/2	12.167

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

using model chemistry: B97D3/6-311G**

States and conformations

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