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	hartrees
Energy at 0K	-249.445455
Energy at 298.15K	-249.456824
HF Energy	-248.888777
Nuclear repulsion energy	236.685674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3506	3355	0.66
2	A	3187	3049	44.95
3	A	3159	3022	11.45
4	A	3123	2988	39.21
5	A	3095	2961	26.51
6	A	3077	2944	51.43
7	A	3061	2929	21.34
8	A	3042	2911	45.90
9	A	3030	2899	31.96
10	A	1697	1624	1.06
11	A	1561	1493	2.14
12	A	1560	1493	2.48
13	A	1553	1486	4.32
14	A	1530	1464	4.48
15	A	1455	1393	0.51
16	A	1423	1361	0.71
17	A	1401	1341	5.67
18	A	1398	1338	0.10
19	A	1350	1292	0.26
20	A	1289	1233	3.90
21	A	1253	1199	6.63
22	A	1227	1174	4.52
23	A	1148	1099	4.19
24	A	1124	1076	19.56
25	A	1070	1023	0.84
26	A	1043	998	6.04
27	A	1008	964	8.75
28	A	989	946	1.45
29	A	919	879	1.77
30	A	902	863	2.07
31	A	866	828	22.88
32	A	785	751	12.15
33	A	734	703	147.00
34	A	666	638	29.59
35	A	532	509	2.35
36	A	490	469	0.73
37	A	404	387	2.40
38	A	294	281	11.06
39	A	163	156	1.91

Atom	x (Å)	y (Å)	z (Å)
H1	-1.494	2.069	0.145
C2	-0.832	1.204	0.056
H3	0.926	2.387	-0.090
C4	0.509	1.379	-0.053
H5	2.364	0.410	0.513
H6	1.870	0.094	-1.153
C7	1.487	0.209	-0.124
H8	0.657	-1.092	1.419
H9	1.406	-1.983	0.079
C10	0.794	-1.105	0.327
H11	-2.342	-0.216	-0.592
H12	-1.875	-0.382	1.104
C13	-1.482	-0.176	0.095
H14	-0.489	-1.379	-1.293
N15	-0.554	-1.282	-0.277

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	N15
H1		1.0928	2.4523	2.1275	4.2152	4.1113	3.5231	4.0298	4.9836	3.9171	2.5457	2.6592	2.2457	3.8687	3.5058
C2	1.0928		2.1241	1.3561	3.3242	3.1614	2.5289	3.0571	3.8947	2.8373	2.1716	2.1687	1.5266	2.9343	2.5238
H3	2.4523	2.1241		1.0924	2.5178	2.6982	2.2491	3.8020	4.4002	3.5199	4.2081	4.1162	3.5225	4.1993	3.9614
C4	2.1275	1.3561	1.0924		2.1676	2.1714	1.5257	2.8793	3.4821	2.5288	3.3104	3.1812	2.5307	3.1841	2.8741
H5	4.2152	3.3242	2.5178	2.1676		1.7666	1.1028	2.4476	2.6144	2.1898	4.8742	4.3527	3.9133	3.8213	3.4651
H6	4.1113	3.1614	2.6982	2.1714	1.7666		1.1047	3.0814	2.4595	2.1881	4.2608	4.3989	3.5876	2.7847	2.9224
C7	3.5231	2.5289	2.2491	1.5257	1.1028	1.1047		2.1821	2.2035	1.5527	3.8802	3.6274	3.0018	2.7914	2.5326
H8	4.0298	3.0571	3.8020	2.8793	2.4476	3.0814	2.1821		1.7754	1.1005	3.7155	2.6485	2.6778	2.9583	2.0935
H9	4.9836	3.8947	4.4002	3.4821	2.6144	2.4595	2.2035	1.7754		1.0988	4.1982	3.7926	3.4075	2.4165	2.1128
C10	3.9171	2.8373	3.5199	2.5288	2.1898	2.1881	1.5527	1.1005	1.0988		3.3870	2.8728	2.4700	2.0849	1.4888
H11	2.5457	2.1716	4.2081	3.3104	4.8742	4.2608	3.8802	3.7155	4.1982	3.3870		1.7669	1.1005	2.2979	2.1050
H12	2.6592	2.1687	4.1162	3.1812	4.3527	4.3989	3.6274	2.6485	3.7926	2.8728	1.7669		1.1028	2.9435	2.1128
C13	2.2457	1.5266	3.5225	2.5307	3.9133	3.5876	3.0018	2.6778	3.4075	2.4700	1.1005	1.1028		2.0880	1.4908
H14	3.8687	2.9343	4.1993	3.1841	3.8213	2.7847	2.7914	2.9583	2.4165	2.0849	2.2979	2.9435	2.0880		1.0223
N15	3.5058	2.5238	3.9614	2.8741	3.4651	2.9224	2.5326	2.0935	2.1128	1.4888	2.1050	2.1128	1.4908	1.0223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.247	H1	C2	C13	117.070
C2	C4	H3	119.951	C2	C4	C7	122.587
C2	C13	H11	110.459	C2	C13	H12	110.091
C2	C13	N15	113.520	H3	C4	C7	117.462
C4	C2	C13	122.666	C4	C7	H5	110.071
C4	C7	H6	110.255	C4	C7	C10	110.462
H5	C7	H6	106.313	H5	C7	C10	109.949
H6	C7	C10	109.707	C7	C10	H8	109.484
C7	C10	H9	111.266	C7	C10	N15	112.737
H8	C10	H9	107.658	H8	C10	N15	106.944
H9	C10	N15	108.538	C10	N15	C13	111.988
C10	N15	H14	110.884	H11	C13	H12	106.634
H11	C13	N15	107.699	H12	C13	N15	108.166
C13	N15	H14	110.993

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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