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	hartrees
Energy at 0K	-322.907124
Energy at 298.15K	-322.913827
HF Energy	-321.693809
Nuclear repulsion energy	275.937839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3788	3604	96.76
2	A'	3256	3098	1.09
3	A'	3251	3094	6.32
4	A'	3226	3069	5.68
5	A'	3212	3056	9.28
6	A'	1661	1581	63.54
7	A'	1631	1552	68.11
8	A'	1515	1442	135.95
9	A'	1494	1421	8.22
10	A'	1420	1351	56.03
11	A'	1358	1293	3.51
12	A'	1326	1262	63.71
13	A'	1204	1145	152.21
14	A'	1170	1113	18.89
15	A'	1109	1055	24.23
16	A'	1067	1015	3.57
17	A'	1011	962	7.30
18	A'	858	816	15.47
19	A'	630	600	2.94
20	A'	562	535	0.50
21	A'	416	396	16.37
22	A"	978	931	0.10
23	A"	958	912	0.65
24	A"	889	846	0.33
25	A"	793	754	60.16
26	A"	740	704	1.20
27	A"	550	523	11.89
28	A"	484	460	100.36
29	A"	418	398	0.73
30	A"	216	205	0.76

Atom	x (Å)	y (Å)
N1	-1.183	0.301
C2	0.000	0.900
C3	1.223	0.226
C4	1.193	-1.158
C5	-0.039	-1.813
C6	-1.191	-1.043
O7	0.012	2.254
H8	2.146	0.786
H9	2.116	-1.720
H10	-0.102	-2.890
H11	-2.169	-1.505
H12	-0.920	2.512

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3260	2.4071	2.7877	2.4030	1.3432	2.2901	3.3640	3.8687	3.3688	2.0575	2.2274
C2	1.3260		1.3962	2.3781	2.7125	2.2785	1.3546	2.1489	3.3675	3.7912	3.2387	1.8567
C3	2.4071	1.3962		1.3840	2.3976	2.7273	2.3622	1.0792	2.1411	3.3862	3.8085	3.1337
C4	2.7877	2.3781	1.3840		1.3951	2.3869	3.6105	2.1643	1.0811	2.1630	3.3801	4.2348
C5	2.4030	2.7125	2.3976	1.3951		1.3859	4.0671	3.3946	2.1572	1.0794	2.1525	4.4138
C6	1.3432	2.2785	2.7273	2.3869	1.3859		3.5096	3.8051	3.3762	2.1446	1.0819	3.5654
O7	2.2901	1.3546	2.3622	3.6105	4.0671	3.5096		2.5905	4.4968	5.1456	4.3463	0.9671
H8	3.3640	2.1489	1.0792	2.1643	3.3946	3.8051	2.5905		2.5055	4.3086	4.8855	3.5188
H9	3.8687	3.3675	2.1411	1.0811	2.1572	3.3762	4.4968	2.5055		2.5082	4.2910	5.2087
H10	3.3688	3.7912	3.3862	2.1630	1.0794	2.1446	5.1456	4.3086	2.5082		2.4883	5.4641
H11	2.0575	3.2387	3.8085	3.3801	2.1525	1.0819	4.3463	4.8855	4.2910	2.4883		4.2073
H12	2.2274	1.8567	3.1337	4.2348	4.4138	3.5654	0.9671	3.5188	5.2087	5.4641	4.2073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.298	N1	C2	O7	117.362
N1	C6	C5	123.396	N1	C6	H11	115.658
C2	N1	C6	117.211	C2	C3	C4	117.598
C2	C3	H8	119.929	C2	O7	H12	104.979
C3	C2	O7	118.340	C3	C4	C5	119.247
C3	C4	H9	120.083	C4	C3	H8	122.474
C4	C5	C6	118.251	C4	C5	H10	121.357
C5	C4	H9	120.670	C5	C6	H11	120.946
C6	C5	H10	120.391

All results from a given calculation for C₅H₅NO (2-Pyridinol)

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 C5H5NO (2-Pyridinol)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₅NO (2-Pyridinol)