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	hartrees
Energy at 0K	-250.602674
Energy at 298.15K	-250.614019
Nuclear repulsion energy	240.807716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3530	3389	0.05
2	A	3174	3048	38.15
3	A	3149	3024	10.65
4	A	3095	2971	42.09
5	A	3067	2944	27.46
6	A	3058	2936	57.85
7	A	3040	2919	23.11
8	A	3012	2892	36.27
9	A	3002	2882	47.14
10	A	1735	1666	2.02
11	A	1491	1432	6.89
12	A	1483	1424	3.47
13	A	1469	1410	9.78
14	A	1465	1407	2.78
15	A	1415	1359	0.67
16	A	1388	1333	4.64
17	A	1366	1312	4.26
18	A	1345	1291	0.62
19	A	1326	1273	0.17
20	A	1258	1208	4.67
21	A	1217	1168	14.69
22	A	1192	1144	5.04
23	A	1140	1094	14.70
24	A	1104	1060	2.84
25	A	1056	1014	4.99
26	A	1009	969	5.44
27	A	1003	963	0.20
28	A	975	936	3.96
29	A	927	890	6.24
30	A	907	871	13.46
31	A	862	828	3.70
32	A	810	777	95.27
33	A	752	722	37.21
34	A	651	625	24.03
35	A	523	502	1.15
36	A	477	458	0.47
37	A	399	383	1.16
38	A	285	274	8.24
39	A	168	162	2.08

Atom	x (Å)	y (Å)	z (Å)
H1	-1.417	2.079	0.154
C2	-0.782	1.202	0.064
H3	0.971	2.335	-0.094
C4	0.535	1.342	-0.055
H5	2.337	0.344	0.517
H6	1.854	0.048	-1.136
C7	1.462	0.165	-0.118
H8	0.599	-1.081	1.407
H9	1.333	-1.994	0.097
C10	0.739	-1.105	0.321
H11	-2.312	-0.144	-0.586
H12	-1.860	-0.332	1.088
C13	-1.450	-0.143	0.087
H14	-0.476	-1.259	-1.288
N15	-0.580	-1.252	-0.280

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	N15
H1		1.0861	2.4149	2.0970	4.1512	4.0607	3.4680	3.9518	4.9143	3.8489	2.5076	2.6226	2.2229	3.7560	3.4619
C2	1.0861		2.0935	1.3298	3.2664	3.1180	2.4792	2.9871	3.8324	2.7756	2.1389	2.1364	1.5019	2.8249	2.4867
H3	2.4149	2.0935		1.0855	2.4906	2.6635	2.2248	3.7495	4.3479	3.4729	4.1433	4.0654	3.4691	4.0542	3.9127
C4	2.0970	1.3298	1.0855		2.1377	2.1406	1.4995	2.8302	3.4330	2.4841	3.2551	3.1377	2.4828	3.0507	2.8325
H5	4.1512	3.2664	2.4906	2.1377		1.7476	1.0951	2.4166	2.5783	2.1656	4.8029	4.2893	3.8418	3.7066	3.4190
H6	4.0607	3.1180	2.6635	2.1406	1.7476		1.0976	3.0523	2.4418	2.1675	4.2070	4.3463	3.5283	2.6760	2.8897
C7	3.4680	2.4792	2.2248	1.4995	1.0951	1.0976		2.1497	2.1733	1.5262	3.8162	3.5696	2.9356	2.6750	2.4914
H8	3.9518	2.9871	3.7495	2.8302	2.4166	3.0523	2.1497		1.7570	1.0946	3.6504	2.5909	2.6115	2.9069	2.0648
H9	4.9143	3.8324	4.3479	3.4330	2.5783	2.4418	2.1733	1.7570		1.0920	4.1444	3.7339	3.3419	2.3937	2.0858
C10	3.8489	2.7756	3.4729	2.4841	2.1656	2.1675	1.5262	1.0946	1.0920		3.3255	2.8185	2.4025	2.0225	1.4570
H11	2.5076	2.1389	4.1433	3.2551	4.8029	4.2070	3.8162	3.6504	4.1444	3.3255		1.7440	1.0938	2.2606	2.0794
H12	2.6226	2.1364	4.0654	3.1377	4.2893	4.3463	3.5696	2.5909	3.7339	2.8185	1.7440		1.0985	2.9025	2.0876
C13	2.2229	1.5019	3.4691	2.4828	3.8418	3.5283	2.9356	2.6115	3.3419	2.4025	1.0938	1.0985		2.0212	1.4566
H14	3.7560	2.8249	4.0542	3.0507	3.7066	2.6760	2.6750	2.9069	2.3937	2.0225	2.2606	2.9025	2.0212		1.0140
N15	3.4619	2.4867	3.9127	2.8325	3.4190	2.8897	2.4914	2.0648	2.0858	1.4570	2.0794	2.0876	1.4566	1.0140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.116	H1	C2	C13	117.490
C2	C4	H3	119.828	C2	C4	C7	122.269
C2	C13	H11	109.985	C2	C13	H12	109.503
C2	C13	N15	114.382	H3	C4	C7	117.897
C4	C2	C13	122.394	C4	C7	H5	109.977
C4	C7	H6	110.055	C4	C7	C10	110.365
H5	C7	H6	105.689	H5	C7	C10	110.329
H6	C7	C10	110.329	C7	C10	H8	109.105
C7	C10	H9	111.130	C7	C10	N15	113.236
H8	C10	H9	106.937	H8	C10	N15	107.185
H9	C10	N15	108.983	C10	N15	C13	111.094
C10	N15	H14	108.537	H11	C13	H12	105.406
H11	C13	N15	108.400	H12	C13	N15	108.771
C13	N15	H14	108.464

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

using model chemistry: B1B95/6-311G**

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	0.104
2	C	-0.164
3	H	0.108
4	C	-0.117
5	H	0.130
6	H	0.130
7	C	-0.247
8	H	0.142
9	H	0.131
10	C	-0.187
11	H	0.132
12	H	0.144
13	C	-0.118
14	H	0.192
15	N	-0.381

	x	y	z	Total
	0.494	0.701	-0.469	0.977
CHELPG
AIM
ESP

	x	y	z
x	10.858	-0.112	-0.253
y	-0.112	8.747	0.045
z	-0.253	0.045	6.970

<r²>	145.780
(<r²>)^1/2	12.074

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

using model chemistry: B1B95/6-311G**

States and conformations

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