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	hartrees
Energy at 0K	-250.656396
Energy at 298.15K	-250.667789
HF Energy	-250.656396
Nuclear repulsion energy	240.126216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3548	3394	0.03
2	A	3187	3048	35.92
3	A	3161	3024	10.51
4	A	3101	2966	42.02
5	A	3079	2945	27.04
6	A	3072	2938	50.23
7	A	3048	2915	32.36
8	A	3024	2892	37.25
9	A	3017	2885	47.53
10	A	1747	1671	1.95
11	A	1510	1444	5.99
12	A	1499	1434	4.90
13	A	1480	1416	9.20
14	A	1476	1412	3.99
15	A	1420	1358	0.97
16	A	1403	1342	4.68
17	A	1380	1320	4.13
18	A	1358	1299	0.39
19	A	1340	1281	0.19
20	A	1267	1212	5.09
21	A	1227	1174	14.07
22	A	1210	1158	5.14
23	A	1150	1100	15.09
24	A	1117	1068	2.95
25	A	1058	1012	4.31
26	A	1016	971	7.14
27	A	1013	969	0.40
28	A	987	944	4.40
29	A	924	884	9.69
30	A	901	862	10.38
31	A	864	826	11.49
32	A	817	782	90.97
33	A	764	731	36.38
34	A	655	626	26.16
35	A	531	508	1.21
36	A	492	471	0.39
37	A	399	382	1.12
38	A	301	288	8.15
39	A	160	153	1.70

Atom	x (Å)	y (Å)	z (Å)
H1	-1.476	2.047	0.142
C2	-0.816	1.187	0.060
H3	0.905	2.368	-0.096
C4	0.496	1.363	-0.054
H5	2.325	0.407	0.528
H6	1.856	0.106	-1.132
C7	1.459	0.207	-0.113
H8	0.641	-1.092	1.403
H9	1.393	-1.963	0.071
C10	0.774	-1.095	0.315
H11	-2.317	-0.208	-0.571
H12	-1.836	-0.378	1.102
C13	-1.447	-0.181	0.093
H14	-0.446	-1.266	-1.291
N15	-0.549	-1.272	-0.281

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	N15
H1		1.0868	2.4136	2.0961	4.1573	4.0606	3.4733	3.9905	4.9307	3.8684	2.5098	2.6331	2.2289	3.7532	3.4718
C2	1.0868		2.0926	1.3284	3.2700	3.1189	2.4832	3.0202	3.8473	2.7934	2.1443	2.1396	1.5077	2.8246	2.4972
H3	2.4136	2.0926		1.0861	2.5009	2.6635	2.2317	3.7803	4.3620	3.4904	4.1523	4.0609	3.4740	4.0568	3.9242
C4	2.0961	1.3284	1.0861		2.1441	2.1426	1.5058	2.8580	3.4469	2.5011	3.2634	3.1314	2.4866	3.0542	2.8437
H5	4.1573	3.2700	2.5009	2.1441		1.7510	1.0958	2.4179	2.5878	2.1698	4.8101	4.2732	3.8428	3.7129	3.4254
H6	4.0606	3.1189	2.6635	2.1426	1.7510		1.0983	3.0552	2.4377	2.1697	4.2227	4.3423	3.5351	2.6847	2.8995
C7	3.4733	2.4832	2.2317	1.5058	1.0958	1.0983		2.1566	2.1785	1.5321	3.8266	3.5602	2.9395	2.6805	2.4993
H8	3.9905	3.0202	3.7803	2.8580	2.4179	3.0552	2.1566		1.7600	1.0955	3.6647	2.5956	2.6281	2.9096	2.0696
H9	4.9307	3.8473	4.3620	3.4469	2.5878	2.4377	2.1785	1.7600		1.0934	4.1541	3.7415	3.3528	2.3914	2.0904
C10	3.8684	2.7934	3.4904	2.5011	2.1698	2.1697	1.5321	1.0955	1.0934		3.3361	2.8188	2.4124	2.0239	1.4617
H11	2.5098	2.1443	4.1523	3.2634	4.8101	4.2227	3.8266	3.6647	4.1541	3.3361		1.7487	1.0947	2.2672	2.0844
H12	2.6331	2.1396	4.0609	3.1314	4.2732	4.3423	3.5602	2.5956	3.7415	2.8188	1.7487		1.0986	2.9058	2.0900
C13	2.2289	1.5077	3.4740	2.4866	3.8428	3.5351	2.9395	2.6281	3.3528	2.4124	1.0947	1.0986		2.0236	1.4621
H14	3.7532	2.8246	4.0568	3.0542	3.7129	2.6847	2.6805	2.9096	2.3914	2.0239	2.2672	2.9058	2.0236		1.0149
N15	3.4718	2.4972	3.9242	2.8437	3.4254	2.8995	2.4993	2.0696	2.0904	1.4617	2.0844	2.0900	1.4621	1.0149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.099	H1	C2	C13	117.512
C2	C4	H3	119.809	C2	C4	C7	122.235
C2	C13	H11	109.961	C2	C13	H12	109.357
C2	C13	N15	114.458	H3	C4	C7	117.953
C4	C2	C13	122.386	C4	C7	H5	110.000
C4	C7	H6	109.738	C4	C7	C10	110.832
H5	C7	H6	105.888	H5	C7	C10	110.208
H6	C7	C10	110.058	C7	C10	H8	109.194
C7	C10	H9	111.043	C7	C10	N15	113.176
H8	C10	H9	107.037	H8	C10	N15	107.191
H9	C10	N15	108.948	C10	N15	C13	111.198
C10	N15	H14	108.259	H11	C13	H12	105.748
H11	C13	N15	108.369	H12	C13	N15	108.577
C13	N15	H14	108.203

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

using model chemistry: wB97X-D/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	0.107
2	C	-0.173
3	H	0.110
4	C	-0.128
5	H	0.125
6	H	0.121
7	C	-0.233
8	H	0.128
9	H	0.127
10	C	-0.150
11	H	0.127
12	H	0.136
13	C	-0.096
14	H	0.188
15	N	-0.389

	x	y	z	Total
	0.498	0.741	-0.478	1.013
CHELPG
AIM
ESP

	x	y	z
x	10.771	-0.069	-0.245
y	-0.069	8.619	0.030
z	-0.245	0.030	6.942

<r²>	146.597
(<r²>)^1/2	12.108

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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