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	hartrees
Energy at 0K	-322.704432
Energy at 298.15K
HF Energy	-321.657722
Nuclear repulsion energy	274.182058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3839	3639	70.78
2	A'	3258	3088	1.74
3	A'	3227	3059	9.02
4	A'	3216	3049	17.75
5	A'	3209	3042	11.65
6	A'	1656	1570	98.77
7	A'	1640	1554	85.48
8	A'	1535	1455	37.05
9	A'	1472	1395	11.52
10	A'	1394	1321	21.70
11	A'	1380	1308	20.96
12	A'	1316	1247	55.98
13	A'	1249	1184	16.27
14	A'	1208	1145	135.37
15	A'	1107	1049	4.12
16	A'	1079	1023	1.08
17	A'	1014	962	10.83
18	A'	848	804	42.83
19	A'	679	644	0.31
20	A'	526	499	0.20
21	A'	408	387	11.29
22	A"	821	778	3.46
23	A"	789	748	0.42
24	A"	730	692	40.98
25	A"	686	650	1.33
26	A"	487	462	26.25
27	A"	312	296	83.54
28	A"	277	262	22.42
29	A"	243	230	4.45
30	A"	270i	256i	2.22

Atom	x (Å)	y (Å)
N1	0.017	-1.876
C2	-1.123	-1.181
C3	-1.192	0.211
C4	0.000	0.933
C5	1.202	0.228
C6	1.151	-1.161
O7	0.059	2.289
H8	-2.041	-1.760
H9	-2.153	0.712
H10	2.144	0.760
H11	2.075	-1.729
H12	-0.836	2.646

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3356	2.4117	2.8089	2.4142	1.3404	4.1651	2.0616	3.3777	3.3865	2.0628	4.6011
C2	1.3356		1.3933	2.3938	2.7186	2.2744	3.6657	1.0853	2.1551	3.8000	3.2448	3.8370
C3	2.4117	1.3933		1.3939	2.3942	2.7150	2.4258	2.1458	1.0841	3.3809	3.7996	2.4605
C4	2.8089	2.3938	1.3939		1.3937	2.3892	1.3573	3.3791	2.1647	2.1509	3.3754	1.9058
C5	2.4142	2.7186	2.3942	1.3937		1.3893	2.3572	3.8038	3.3902	1.0817	2.1429	3.1624
C6	1.3404	2.2744	2.7150	2.3892	1.3893		3.6185	3.2479	3.7982	2.1618	1.0849	4.2937
O7	4.1651	3.6657	2.4258	1.3573	2.3572	3.6185		4.5612	2.7167	2.5860	4.4959	0.9636
H8	2.0616	1.0853	2.1458	3.3791	3.8038	3.2479	4.5612		2.4746	4.8849	4.1161	4.5671
H9	3.3777	2.1551	1.0841	2.1647	3.3902	3.7982	2.7167	2.4746		4.2975	4.8825	2.3392
H10	3.3865	3.8000	3.3809	2.1509	1.0817	2.1618	2.5860	4.8849	4.2975		2.4900	3.5269
H11	2.0628	3.2448	3.7996	3.3754	2.1429	1.0849	4.4959	4.1161	4.8825	2.4900		5.2550
H12	4.6011	3.8370	2.4605	1.9058	3.1624	4.2937	0.9636	4.5671	2.3392	3.5269	5.2550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.188	N1	C2	H8	116.393
N1	C6	C5	124.348	N1	C6	H11	116.141
C2	N1	C6	116.402	C2	C3	C4	118.378
C2	C3	H9	120.380	C3	C2	H8	119.419
C3	C4	C5	118.384	C3	C4	O7	123.691
C4	C3	H9	121.242	C4	C5	C6	118.299
C4	C5	H10	120.138	C4	O7	H12	109.222
C5	C4	O7	117.925	C5	C6	H11	119.511
C6	C5	H10	121.562

All results from a given calculation for C₅H₅NO (4-Pyridinol)

using model chemistry: MP2/TZVP

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 (4-Pyridinol)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₅H₅NO (4-Pyridinol)