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	hartrees
Energy at 0K	-250.473596
Energy at 298.15K	-250.484908
Nuclear repulsion energy	239.458366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3569	3403	0.06
2	A	3205	3057	44.94
3	A	3178	3031	10.01
4	A	3130	2985	39.32
5	A	3093	2950	26.11
6	A	3081	2938	62.26
7	A	3062	2921	19.73
8	A	3028	2888	39.46
9	A	3019	2879	51.03
10	A	1752	1671	1.39
11	A	1526	1455	6.61
12	A	1523	1452	1.27
13	A	1517	1447	11.97
14	A	1511	1441	4.20
15	A	1446	1379	0.65
16	A	1412	1346	0.93
17	A	1386	1322	1.57
18	A	1386	1321	4.32
19	A	1345	1283	0.20
20	A	1278	1219	3.28
21	A	1252	1194	12.43
22	A	1218	1161	4.94
23	A	1161	1107	17.50
24	A	1125	1073	1.17
25	A	1074	1025	4.19
26	A	1029	981	1.18
27	A	1027	979	1.28
28	A	994	948	6.33
29	A	933	890	2.31
30	A	914	872	6.95
31	A	873	832	4.61
32	A	784	747	14.62
33	A	691	659	89.64
34	A	640	611	115.93
35	A	529	505	7.52
36	A	486	464	0.69
37	A	399	380	2.26
38	A	284	270	14.69
39	A	160	152	4.00

Atom	x (Å)	y (Å)	z (Å)
H1	-1.486	2.043	0.159
C2	-0.824	1.186	0.060
H3	0.910	2.367	-0.080
C4	0.498	1.362	-0.054
H5	2.348	0.420	0.492
H6	1.845	0.100	-1.156
C7	1.468	0.211	-0.129
H8	0.663	-1.067	1.415
H9	1.401	-1.962	0.088
C10	0.788	-1.089	0.326
H11	-2.312	-0.216	-0.610
H12	-1.884	-0.373	1.081
C13	-1.463	-0.180	0.082
H14	-0.499	-1.431	-1.262
N15	-0.540	-1.261	-0.263

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	N15
H1		1.0873	2.4294	2.1082	4.1769	4.0742	3.4875	3.9841	4.9375	3.8738	2.5250	2.6160	2.2242	3.8812	3.4624
C2	1.0873		2.1027	1.3384	3.2921	3.1276	2.4978	3.0212	3.8551	2.8007	2.1509	2.1433	1.5080	2.9502	2.4843
H3	2.4294	2.1027		1.0870	2.4877	2.6781	2.2276	3.7541	4.3597	3.4819	4.1628	4.0815	3.4848	4.2202	3.9110
C4	2.1082	1.3384	1.0870		2.1472	2.1496	1.5068	2.8438	3.4468	2.4967	3.2693	3.1572	2.4979	3.2020	2.8278
H5	4.1769	3.2921	2.4877	2.1472		1.7534	1.0975	2.4293	2.5943	2.1768	4.8303	4.3456	3.8800	3.8226	3.4257
H6	4.0742	3.1276	2.6781	2.1496	1.7534		1.1002	3.0611	2.4484	2.1744	4.2037	4.3737	3.5432	2.8017	2.8870
C7	3.4875	2.4978	2.2276	1.5068	1.0975	1.1002		2.1598	2.1844	1.5359	3.8336	3.6106	2.9644	2.8019	2.4928
H8	3.9841	3.0212	3.7541	2.8438	2.4293	3.0611	2.1598		1.7622	1.0962	3.6983	2.6615	2.6623	2.9412	2.0741
H9	4.9375	3.8551	4.3597	3.4468	2.5943	2.4484	2.1844	1.7622		1.0932	4.1619	3.7820	3.3738	2.3910	2.0936
C10	3.8738	2.8007	3.4819	2.4967	2.1768	2.1744	1.5359	1.0962	1.0932		3.3532	2.8670	2.4399	2.0727	1.4626
H11	2.5250	2.1509	4.1628	3.2693	4.8303	4.2037	3.8336	3.6983	4.1619	3.3532		1.7509	1.0955	2.2773	2.0859
H12	2.6160	2.1433	4.0815	3.1572	4.3456	4.3737	3.6106	2.6615	3.7820	2.8670	1.7509		1.1003	2.9197	2.0978
C13	2.2242	1.5080	3.4848	2.4979	3.8800	3.5432	2.9644	2.6623	3.3738	2.4399	1.0955	1.1003		2.0743	1.4631
H14	3.8812	2.9502	4.2202	3.2020	3.8226	2.8017	2.8019	2.9412	2.3910	2.0727	2.2773	2.9197	2.0743		1.0141
N15	3.4624	2.4843	3.9110	2.8278	3.4257	2.8870	2.4928	2.0741	2.0936	1.4626	2.0859	2.0978	1.4631	1.0141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.360	H1	C2	C13	117.041
C2	C4	H3	119.862	C2	C4	C7	122.676
C2	C13	H11	110.408	C2	C13	H12	109.525
C2	C13	N15	113.465	H3	C4	C7	117.454
C4	C2	C13	122.591	C4	C7	H5	110.080
C4	C7	H6	110.107	C4	C7	C10	110.280
H5	C7	H6	105.845	H5	C7	C10	110.394
H6	C7	C10	110.049	C7	C10	H8	109.145
C7	C10	H9	111.257	C7	C10	N15	112.456
H8	C10	H9	107.192	H8	C10	N15	107.436
H9	C10	N15	109.146	C10	N15	C13	113.011
C10	N15	H14	112.358	H11	C13	H12	105.762
H11	C13	N15	108.367	H12	C13	N15	109.016
C13	N15	H14	112.458

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

using model chemistry: B1B95/6-31G

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	0.139
2	C	-0.132
3	H	0.141
4	C	-0.116
5	H	0.155
6	H	0.158
7	C	-0.346
8	H	0.169
9	H	0.159
10	C	-0.185
11	H	0.164
12	H	0.175
13	C	-0.213
14	H	0.291
15	N	-0.559

	x	y	z	Total
	0.477	0.749	-0.658	1.106
CHELPG
AIM
ESP

	x	y	z
x	10.169	-0.083	-0.230
y	-0.083	7.916	0.179
z	-0.230	0.179	6.182

<r²>	147.230
(<r²>)^1/2	12.134

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

using model chemistry: B1B95/6-31G

States and conformations

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