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	hartrees
Energy at 0K	-323.645549
Energy at 298.15K	-323.652330
HF Energy	-323.645549
Nuclear repulsion energy	276.227923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3755	3633	79.77
2	A'	3208	3103	2.00
3	A'	3202	3098	11.60
4	A'	3177	3074	7.00
5	A'	3159	3056	13.51
6	A'	1646	1593	84.68
7	A'	1623	1570	90.12
8	A'	1510	1461	102.80
9	A'	1490	1442	66.36
10	A'	1371	1326	20.32
11	A'	1321	1278	98.99
12	A'	1308	1266	7.40
13	A'	1198	1159	133.32
14	A'	1165	1127	36.02
15	A'	1109	1073	24.88
16	A'	1063	1029	3.77
17	A'	1009	976	6.75
18	A'	862	834	13.52
19	A'	642	622	2.55
20	A'	567	549	0.72
21	A'	421	407	16.20
22	A"	1014	981	0.03
23	A"	988	956	0.58
24	A"	888	859	1.88
25	A"	802	776	53.36
26	A"	760	735	9.07
27	A"	559	541	20.16
28	A"	498	482	91.76
29	A"	426	412	0.21
30	A"	216	209	0.85

Atom	x (Å)	y (Å)
N1	-1.177	0.294
C2	0.000	0.900
C3	1.224	0.227
C4	1.191	-1.153
C5	-0.037	-1.813
C6	-1.187	-1.044
O7	0.002	2.254
H8	2.148	0.786
H9	2.115	-1.716
H10	-0.098	-2.891
H11	-2.166	-1.508
H12	-0.925	2.533

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3240	2.4024	2.7761	2.3958	1.3380	2.2868	3.3613	3.8577	3.3630	2.0558	2.2526
C2	1.3240		1.3970	2.3740	2.7131	2.2776	1.3534	2.1509	3.3641	3.7921	3.2389	1.8763
C3	2.4024	1.3970		1.3808	2.3983	2.7256	2.3662	1.0795	2.1374	3.3865	3.8081	3.1517
C4	2.7761	2.3740	1.3808		1.3944	2.3810	3.6083	2.1621	1.0816	2.1636	3.3757	4.2503
C5	2.3958	2.7131	2.3983	1.3944		1.3834	4.0664	3.3950	2.1547	1.0797	2.1500	4.4352
C6	1.3380	2.2776	2.7256	2.3810	1.3834		3.5051	3.8037	3.3701	2.1443	1.0832	3.5860
O7	2.2868	1.3534	2.3662	3.6083	4.0664	3.5051		2.5995	4.4966	5.1452	4.3418	0.9681
H8	3.3613	2.1509	1.0795	2.1621	3.3950	3.8037	2.5995		2.5017	4.3081	4.8855	3.5344
H9	3.8577	3.3641	2.1374	1.0816	2.1547	3.3701	4.4966	2.5017		2.5058	4.2859	5.2241
H10	3.3630	3.7921	3.3865	2.1636	1.0797	2.1443	5.1452	4.3081	2.5058		2.4871	5.4861
H11	2.0558	3.2389	3.8081	3.3757	2.1500	1.0832	4.3418	4.8855	4.2859	2.4871		4.2274
H12	2.2526	1.8763	3.1517	4.2503	4.4352	3.5860	0.9681	3.5344	5.2241	5.4861	4.2274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.972	N1	C2	O7	117.325
N1	C6	C5	123.357	N1	C6	H11	115.827
C2	N1	C6	117.644	C2	C3	C4	117.444
C2	C3	H8	120.032	C2	O7	H12	106.670
C3	C2	O7	118.703	C3	C4	C5	119.582
C3	C4	H9	119.973	C4	C3	H8	122.524
C4	C5	C6	118.001	C4	C5	H10	121.451
C5	C4	H9	120.445	C5	C6	H11	120.816
C6	C5	H10	120.548

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

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

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