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	hartrees
Energy at 0K	-250.133020
Energy at 298.15K	-250.144383
HF Energy	-249.094054
Nuclear repulsion energy	240.618167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3535	3364	0.75
2	A	3208	3053	26.36
3	A	3184	3029	6.14
4	A	3137	2985	29.50
5	A	3114	2963	17.28
6	A	3105	2954	28.41
7	A	3075	2926	25.16
8	A	3054	2906	34.12
9	A	3052	2904	27.39
10	A	1700	1618	2.09
11	A	1499	1426	4.30
12	A	1489	1417	3.87
13	A	1486	1414	5.72
14	A	1477	1405	6.81
15	A	1422	1353	0.49
16	A	1395	1327	4.45
17	A	1373	1306	5.19
18	A	1356	1291	0.54
19	A	1334	1270	0.13
20	A	1270	1208	4.05
21	A	1221	1162	14.53
22	A	1202	1144	4.84
23	A	1140	1085	15.22
24	A	1113	1059	3.06
25	A	1065	1013	4.26
26	A	1015	966	5.51
27	A	997	949	0.06
28	A	986	938	4.50
29	A	930	885	6.73
30	A	908	864	9.14
31	A	868	826	10.35
32	A	815	776	85.15
33	A	760	724	33.03
34	A	655	623	22.88
35	A	522	497	1.01
36	A	479	455	0.41
37	A	400	381	1.12
38	A	291	277	7.71
39	A	169	161	1.69

Atom	x (Å)	y (Å)	z (Å)
H1	-1.424	2.076	0.148
C2	-0.789	1.202	0.064
H3	0.964	2.339	-0.101
C4	0.535	1.346	-0.056
H5	2.332	0.347	0.522
H6	1.851	0.047	-1.132
C7	1.464	0.168	-0.116
H8	0.595	-1.078	1.405
H9	1.340	-1.985	0.097
C10	0.742	-1.103	0.323
H11	-2.314	-0.150	-0.575
H12	-1.841	-0.343	1.094
C13	-1.451	-0.148	0.091
H14	-0.464	-1.241	-1.294
N15	-0.577	-1.257	-0.286

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	N15
H1		1.0838	2.4157	2.1006	4.1517	4.0598	3.4713	3.9495	4.9129	3.8508	2.5043	2.6300	2.2244	3.7425	3.4657
C2	1.0838		2.0962	1.3371	3.2682	3.1199	2.4851	2.9845	3.8329	2.7791	2.1361	2.1336	1.5029	2.8139	2.4921
H3	2.4157	2.0962		1.0830	2.4952	2.6651	2.2278	3.7520	4.3451	3.4751	4.1434	4.0604	3.4713	4.0347	3.9162
C4	2.1006	1.3371	1.0830		2.1356	2.1394	1.5011	2.8301	3.4303	2.4864	3.2595	3.1331	2.4885	3.0366	2.8391
H5	4.1517	3.2682	2.4952	2.1356		1.7487	1.0923	2.4142	2.5702	2.1612	4.7999	4.2680	3.8390	3.6927	3.4187
H6	4.0598	3.1199	2.6651	2.1394	1.7487		1.0943	3.0462	2.4296	2.1610	4.2067	4.3286	3.5259	2.6537	2.8826
C7	3.4713	2.4851	2.2278	1.5011	1.0923	1.0943		2.1492	2.1673	1.5260	3.8190	3.5559	2.9384	2.6623	2.4944
H8	3.9495	2.9845	3.7520	2.8301	2.4142	3.0462	2.1492		1.7576	1.0919	3.6391	2.5628	2.6028	2.9033	2.0648
H9	4.9129	3.8329	4.3451	3.4303	2.5702	2.4296	2.1673	1.7576		1.0895	4.1440	3.7161	3.3412	2.3961	2.0863
C10	3.8508	2.7791	3.4751	2.4864	2.1612	2.1610	1.5260	1.0919	1.0895		3.3251	2.8007	2.4029	2.0218	1.4611
H11	2.5043	2.1361	4.1434	3.2595	4.7999	4.2067	3.8190	3.6391	4.1440	3.3251		1.7462	1.0908	2.2652	2.0798
H12	2.6300	2.1336	4.0604	3.1331	4.2680	4.3286	3.5559	2.5628	3.7161	2.8007	1.7462		1.0944	2.8995	2.0826
C13	2.2244	1.5029	3.4713	2.4885	3.8390	3.5259	2.9384	2.6028	3.3412	2.4029	1.0908	1.0944		2.0216	1.4610
H14	3.7425	2.8139	4.0347	3.0366	3.6927	2.6537	2.6623	2.9033	2.3961	2.0218	2.2652	2.8995	2.0216		1.0143
N15	3.4657	2.4921	3.9162	2.8391	3.4187	2.8826	2.4944	2.0648	2.0863	1.4611	2.0798	2.0826	1.4610	1.0143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.028	H1	C2	C13	117.700
C2	C4	H3	119.665	C2	C4	C7	122.127
C2	C13	H11	109.866	C2	C13	H12	109.455
C2	C13	N15	114.444	H3	C4	C7	118.204
C4	C2	C13	122.272	C4	C7	H5	109.864
C4	C7	H6	110.044	C4	C7	C10	110.447
H5	C7	H6	106.213	H5	C7	C10	110.160
H6	C7	C10	110.028	C7	C10	H8	109.243
C7	C10	H9	110.816	C7	C10	N15	113.232
H8	C10	H9	107.360	H8	C10	N15	107.068
H9	C10	N15	108.892	C10	N15	C13	110.642
C10	N15	H14	108.163	H11	C13	H12	106.093
H11	C13	N15	108.314	H12	C13	N15	108.325
C13	N15	H14	108.155

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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