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	hartrees
Energy at 0K	-323.174612
Energy at 298.15K
HF Energy	-322.842945
Nuclear repulsion energy	273.877953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3757	3564	52.40
2	A'	3248	3082	5.92
3	A'	3233	3068	16.78
4	A'	3214	3049	10.14
5	A'	3165	3003	34.46
6	A'	1665	1580	16.54
7	A'	1650	1566	23.44
8	A'	1546	1467	18.83
9	A'	1494	1418	110.65
10	A'	1398	1326	26.66
11	A'	1357	1287	2.11
12	A'	1324	1256	90.73
13	A'	1245	1182	48.26
14	A'	1221	1159	98.70
15	A'	1143	1085	6.96
16	A'	1074	1019	1.68
17	A'	1041	987	7.11
18	A'	847	803	6.92
19	A'	637	604	3.96
20	A'	554	525	5.53
21	A'	397	376	14.14
22	A"	967	917	0.26
23	A"	933	885	0.83
24	A"	894	848	0.82
25	A"	811	770	39.77
26	A"	711	674	12.44
27	A"	519	492	0.17
28	A"	423	401	3.26
29	A"	365	346	135.03
30	A"	232	221	0.15

Atom	x (Å)	y (Å)
N1	-1.207	-1.159
C2	-1.184	0.177
C3	0.000	0.925
C4	1.219	0.242
C5	1.195	-1.149
C6	-0.040	-1.808
O7	0.021	2.287
H8	-2.150	0.685
H9	2.148	0.804
H10	2.119	-1.717
H11	-0.087	-2.895
H12	-0.888	2.620

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3360	2.4081	2.8020	2.4022	1.3364	3.6576	2.0709	3.8867	3.3733	2.0661	3.7924
C2	1.3360		1.4007	2.4047	2.7240	2.2919	2.4294	1.0912	3.3905	3.8084	3.2619	2.4611
C3	2.4081	1.4007		1.3976	2.3936	2.7336	1.3618	2.1634	2.1512	3.3872	3.8204	1.9138
C4	2.8020	2.4047	1.3976		1.3915	2.4061	2.3699	3.3985	1.0849	2.1561	3.3977	3.1775
C5	2.4022	2.7240	2.3936	1.3915		1.3994	3.6308	3.8149	2.1728	1.0851	2.1654	4.3066
C6	1.3364	2.2919	2.7336	2.4061	1.3994		4.0954	3.2669	3.4068	2.1609	1.0872	4.5092
O7	3.6576	2.4294	1.3618	2.3699	3.6308	4.0954		2.6976	2.5929	4.5204	5.1822	0.9681
H8	2.0709	1.0912	2.1634	3.3985	3.8149	3.2669	2.6976		4.2994	4.8990	4.1318	2.3103
H9	3.8867	3.3905	2.1512	1.0849	2.1728	3.4068	2.5929	4.2994		2.5209	4.3207	3.5378
H10	3.3733	3.8084	3.3872	2.1561	1.0851	2.1609	4.5204	4.8990	2.5209		2.5007	5.2781
H11	2.0661	3.2619	3.8204	3.3977	2.1654	1.0872	5.1822	4.1318	4.3207	2.5007		5.5727
H12	3.7924	2.4611	1.9138	3.1775	4.3066	4.5092	0.9681	2.3103	3.5378	5.2781	5.5727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.250	N1	C2	H8	116.766
N1	C6	C5	122.807	N1	C6	H11	116.600
C2	N1	C6	118.105	C2	C3	C4	118.487
C2	C3	O7	123.143	C3	C2	H8	119.984
C3	C4	C5	118.235	C3	C4	H9	119.589
C3	O7	H12	109.288	C4	C3	O7	118.370
C4	C5	C6	119.115	C4	C5	H10	120.556
C5	C4	H9	122.175	C5	C6	H11	120.592
C6	C5	H10	120.329

All results from a given calculation for C₅H₅NO (3-Pyridinol)

using model chemistry: B2PLYP=FULLultrafine/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 C5H5NO (3-Pyridinol)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for C₅H₅NO (3-Pyridinol)