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	hartrees
Energy at 0K	-249.871833
Energy at 298.15K	-249.883220
HF Energy	-249.017330
Nuclear repulsion energy	238.922281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3504	3338	0.07
2	A	3215	3062	30.18
3	A	3189	3038	7.26
4	A	3143	2994	34.17
5	A	3120	2972	23.22
6	A	3112	2964	32.28
7	A	3078	2932	33.93
8	A	3055	2910	56.04
9	A	3054	2909	17.88
10	A	1711	1630	1.44
11	A	1490	1419	6.15
12	A	1484	1413	1.81
13	A	1470	1400	6.26
14	A	1464	1395	2.18
15	A	1417	1350	0.89
16	A	1393	1327	7.35
17	A	1372	1307	5.29
18	A	1345	1281	0.19
19	A	1330	1266	0.90
20	A	1264	1204	5.63
21	A	1218	1160	14.22
22	A	1194	1138	4.19
23	A	1143	1089	11.45
24	A	1115	1062	5.03
25	A	1068	1018	4.04
26	A	1019	971	9.54
27	A	984	938	2.47
28	A	982	936	0.15
29	A	936	891	9.33
30	A	913	869	11.40
31	A	873	831	17.29
32	A	839	800	74.12
33	A	759	723	19.72
34	A	651	620	19.78
35	A	521	496	0.84
36	A	479	457	0.52
37	A	399	380	1.66
38	A	298	284	6.32
39	A	172	164	1.35

Atom	x (Å)	y (Å)	z (Å)
H1	-1.414	2.112	0.145
C2	-0.782	1.218	0.062
H3	1.005	2.350	-0.099
C4	0.558	1.349	-0.052
H5	2.360	0.314	0.526
H6	1.863	0.021	-1.145
C7	1.474	0.148	-0.115
H8	0.570	-1.087	1.421
H9	1.322	-2.021	0.108
C10	0.727	-1.118	0.326
H11	-2.342	-0.131	-0.570
H12	-1.846	-0.332	1.113
C13	-1.458	-0.136	0.093
H14	-0.458	-1.194	-1.311
N15	-0.595	-1.257	-0.297

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	N15
H1		1.0979	2.4424	2.1238	4.1979	4.0952	3.5020	3.9744	4.9568	3.8793	2.5301	2.6640	2.2490	3.7368	3.4950
C2	1.0979		2.1212	1.3514	3.3025	3.1439	2.5031	2.9976	3.8627	2.7934	2.1567	2.1539	1.5138	2.7946	2.5078
H3	2.4424	2.1212		1.0972	2.5243	2.6933	2.2511	3.7827	4.3872	3.5050	4.1922	4.0974	3.5048	4.0214	3.9509
C4	2.1238	1.3514	1.0972		2.1569	2.1584	1.5113	2.8463	3.4590	2.5015	3.2965	3.1566	2.5085	3.0143	2.8603
H5	4.1979	3.3025	2.5243	2.1569		1.7682	1.1060	2.4433	2.5895	2.1819	4.8486	4.2964	3.8694	3.6875	3.4472
H6	4.0952	3.1439	2.6933	2.1584	1.7682		1.1087	3.0793	2.4560	2.1802	4.2464	4.3568	3.5480	2.6254	2.8976
C7	3.5020	2.5031	2.2511	1.5113	1.1060	1.1087		2.1680	2.1859	1.5352	3.8532	3.5727	2.9537	2.6401	2.5083
H8	3.9744	2.9976	3.7827	2.8463	2.4433	3.0793	2.1680		1.7783	1.1060	3.6541	2.5501	2.6036	2.9210	2.0823
H9	4.9568	3.8627	4.3872	3.4590	2.5895	2.4560	2.1859	1.7783		1.1034	4.1782	3.7290	3.3594	2.4225	2.1036
C10	3.8793	2.7934	3.5050	2.5015	2.1819	2.1802	1.5352	1.1060	1.1034		3.3456	2.8034	2.4069	2.0228	1.4681
H11	2.5301	2.1567	4.1922	3.2965	4.8486	4.2464	3.8532	3.6541	4.1782	3.3456		1.7658	1.1047	2.2864	2.0958
H12	2.6640	2.1539	4.0974	3.1566	4.2964	4.3568	3.5727	2.5501	3.7290	2.8034	1.7658		1.1085	2.9239	2.0998
C13	2.2490	1.5138	3.5048	2.5085	3.8694	3.5480	2.9537	2.6036	3.3594	2.4069	1.1047	1.1085		2.0232	1.4675
H14	3.7368	2.7946	4.0214	3.0143	3.6875	2.6254	2.6401	2.9210	2.4225	2.0228	2.2864	2.9239	2.0232		1.0257
N15	3.4950	2.5078	3.9509	2.8603	3.4472	2.8976	2.5083	2.0823	2.1036	1.4681	2.0958	2.0998	1.4675	1.0257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.888	H1	C2	C13	118.007
C2	C4	H3	119.704	C2	C4	C7	121.848
C2	C13	H11	109.917	C2	C13	H12	109.474
C2	C13	N15	114.518	H3	C4	C7	118.447
C4	C2	C13	122.103	C4	C7	H5	110.031
C4	C7	H6	109.990	C4	C7	C10	110.383
H5	C7	H6	105.954	H5	C7	C10	110.343
H6	C7	C10	110.050	C7	C10	H8	109.257
C7	C10	H9	110.808	C7	C10	N15	113.249
H8	C10	H9	107.193	H8	C10	N15	107.144
H9	C10	N15	108.951	C10	N15	C13	110.148
C10	N15	H14	107.075	H11	C13	H12	105.855
H11	C13	N15	108.311	H12	C13	N15	108.398
C13	N15	H14	107.143

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

using model chemistry: MP2/cc-pVDZ

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

using model chemistry: MP2/cc-pVDZ

States and conformations

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