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	hartrees
Energy at 0K	-250.594389
Energy at 298.15K	-250.605727
Nuclear repulsion energy	239.789816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3529	3383	0.33
2	A	3184	3051	39.14
3	A	3160	3029	9.41
4	A	3102	2973	38.26
5	A	3070	2943	26.65
6	A	3063	2936	56.14
7	A	3047	2920	23.22
8	A	3015	2889	39.58
9	A	3006	2881	46.23
10	A	1740	1668	1.96
11	A	1498	1435	7.02
12	A	1496	1434	1.35
13	A	1481	1420	8.05
14	A	1478	1416	1.25
15	A	1421	1362	0.41
16	A	1398	1340	6.75
17	A	1373	1316	4.24
18	A	1352	1296	0.44
19	A	1332	1277	0.45
20	A	1262	1210	4.78
21	A	1221	1170	12.49
22	A	1197	1147	4.71
23	A	1142	1095	15.59
24	A	1109	1063	3.27
25	A	1056	1012	3.97
26	A	1011	969	6.78
27	A	999	957	0.14
28	A	982	941	3.28
29	A	925	887	7.00
30	A	903	865	8.42
31	A	864	828	13.38
32	A	813	779	96.40
33	A	760	728	30.32
34	A	652	624	22.30
35	A	527	505	1.22
36	A	485	465	0.49
37	A	399	382	1.06
38	A	293	281	7.95
39	A	167	160	1.88

Atom	x (Å)	y (Å)	z (Å)
H1	-1.434	2.083	0.140
C2	-0.790	1.207	0.058
H3	0.969	2.349	-0.094
C4	0.533	1.352	-0.053
H5	2.338	0.352	0.533
H6	1.873	0.068	-1.131
C7	1.467	0.174	-0.112
H8	0.628	-1.117	1.403
H9	1.345	-1.995	0.056
C10	0.748	-1.113	0.311
H11	-2.323	-0.156	-0.578
H12	-1.859	-0.331	1.099
C13	-1.453	-0.146	0.091
H14	-0.488	-1.276	-1.286
N15	-0.582	-1.260	-0.274

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	N15
H1		1.0893	2.4289	2.1066	4.1689	4.0753	3.4817	4.0099	4.9356	3.8731	2.5142	2.6317	2.2298	3.7694	3.4747
C2	1.0893		2.1029	1.3356	3.2783	3.1315	2.4888	3.0363	3.8495	2.7955	2.1481	2.1425	1.5077	2.8400	2.4988
H3	2.4289	2.1029		1.0888	2.5008	2.6632	2.2309	3.7898	4.3627	3.4921	4.1654	4.0742	3.4824	4.0845	3.9324
C4	2.1066	1.3356	1.0888		2.1458	2.1462	1.5048	2.8673	3.4463	2.5010	3.2721	3.1429	2.4918	3.0770	2.8488
H5	4.1689	3.2783	2.5008	2.1458		1.7505	1.0986	2.4165	2.5928	2.1735	4.8190	4.2899	3.8497	3.7346	3.4320
H6	4.0753	3.1315	2.6632	2.1462	1.7505		1.1013	3.0615	2.4383	2.1774	4.2385	4.3657	3.5502	2.7214	2.9203
C7	3.4817	2.4888	2.2309	1.5048	1.0986	1.1013		2.1601	2.1793	1.5340	3.8331	3.5756	2.9450	2.7024	2.5066
H8	4.0099	3.0363	3.7898	2.8673	2.4165	3.0615	2.1601		1.7607	1.0978	3.6811	2.6253	2.6441	2.9154	2.0721
H9	4.9356	3.8495	4.3627	3.4463	2.5928	2.4383	2.1793	1.7607		1.0957	4.1521	3.7583	3.3543	2.3833	2.0888
C10	3.8731	2.7955	3.4921	2.5010	2.1735	2.1774	1.5340	1.0978	1.0957		3.3372	2.8333	2.4141	2.0264	1.4604
H11	2.5142	2.1481	4.1654	3.2721	4.8190	4.2385	3.8331	3.6811	4.1521	3.3372		1.7488	1.0975	2.2632	2.0839
H12	2.6317	2.1425	4.0742	3.1429	4.2899	4.3657	3.5756	2.6253	3.7583	2.8333	1.7488		1.1021	2.9090	2.0927
C13	2.2298	1.5077	3.4824	2.4918	3.8497	3.5502	2.9450	2.6441	3.3543	2.4141	1.0975	1.1021		2.0259	1.4605
H14	3.7694	2.8400	4.0845	3.0770	3.7346	2.7214	2.7024	2.9154	2.3833	2.0264	2.2632	2.9090	2.0259		1.0170
N15	3.4747	2.4988	3.9324	2.8488	3.4320	2.9203	2.5066	2.0721	2.0888	1.4604	2.0839	2.0927	1.4605	1.0170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.277	H1	C2	C13	117.413
C2	C4	H3	119.964	C2	C4	C7	122.263
C2	C13	H11	110.090	C2	C13	H12	109.381
C2	C13	N15	114.664	H3	C4	C7	117.771
C4	C2	C13	122.308	C4	C7	H5	110.039
C4	C7	H6	109.913	C4	C7	C10	110.768
H5	C7	H6	105.442	H5	C7	C10	110.203
H6	C7	C10	110.348	C7	C10	H8	109.195
C7	C10	H9	110.831	C7	C10	N15	113.647
H8	C10	H9	106.777	H8	C10	N15	107.340
H9	C10	N15	108.770	C10	N15	C13	111.476
C10	N15	H14	108.433	H11	C13	H12	105.325
H11	C13	N15	108.269	H12	C13	N15	108.686
C13	N15	H14	108.380

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

using model chemistry: B3PW91/6-31G**

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	0.110
2	C	-0.116
3	H	0.111
4	C	-0.098
5	H	0.129
6	H	0.129
7	C	-0.280
8	H	0.136
9	H	0.125
10	C	-0.125
11	H	0.131
12	H	0.141
13	C	-0.140
14	H	0.254
15	N	-0.507

	x	y	z	Total
	0.502	0.754	-0.513	1.041
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	146.667
(<r²>)^1/2	12.111

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

using model chemistry: B3PW91/6-31G**

States and conformations

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