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	hartrees
Energy at 0K	-323.527326
Energy at 298.15K	-323.533943
HF Energy	-323.527326
Nuclear repulsion energy	274.479843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3812	3678	53.97
2	A'	3205	3093	6.49
3	A'	3189	3078	14.32
4	A'	3164	3053	10.82
5	A'	3112	3003	35.55
6	A'	1639	1582	14.40
7	A'	1623	1566	20.69
8	A'	1524	1470	18.65
9	A'	1473	1422	107.04
10	A'	1375	1327	25.66
11	A'	1329	1282	8.51
12	A'	1302	1256	97.58
13	A'	1231	1188	35.64
14	A'	1200	1158	91.93
15	A'	1128	1089	6.35
16	A'	1064	1027	0.91
17	A'	1030	994	8.29
18	A'	841	812	6.79
19	A'	633	611	4.28
20	A'	551	532	5.54
21	A'	397	383	12.05
22	A"	990	955	0.62
23	A"	950	917	1.50
24	A"	913	881	0.96
25	A"	834	805	22.07
26	A"	733	707	17.96
27	A"	529	511	0.21
28	A"	426	411	1.65
29	A"	383	370	110.31
30	A"	233	225	0.09

Atom	x (Å)	y (Å)
N1	-1.203	-1.160
C2	-1.179	0.172
C3	0.000	0.923
C4	1.217	0.245
C5	1.194	-1.143
C6	-0.034	-1.803
O7	0.011	2.283
H8	-2.144	0.680
H9	2.144	0.807
H10	2.119	-1.710
H11	-0.079	-2.888
H12	-0.897	2.606

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3316	2.4053	2.7986	2.3974	1.3347	3.6503	2.0664	3.8825	3.3673	2.0618	3.7783
C2	1.3316		1.3977	2.3970	2.7126	2.2824	2.4231	1.0910	3.3829	3.7964	3.2514	2.4507
C3	2.4053	1.3977		1.3934	2.3863	2.7259	1.3599	2.1576	2.1472	3.3795	3.8120	1.9072
C4	2.7986	2.3970	1.3934		1.3882	2.3995	2.3683	3.3892	1.0841	2.1526	3.3908	3.1695
C5	2.3974	2.7126	2.3863	1.3882		1.3937	3.6245	3.8035	2.1695	1.0846	2.1603	4.2929
C6	1.3347	2.2824	2.7259	2.3995	1.3937		4.0858	3.2585	3.3992	2.1544	1.0865	4.4926
O7	3.6503	2.4231	1.3599	2.3683	3.6245	4.0858		2.6853	2.5939	4.5150	5.1718	0.9636
H8	2.0664	1.0910	2.1576	3.3892	3.8035	3.2585	2.6853		4.2899	4.8870	4.1227	2.2943
H9	3.8825	3.3829	2.1472	1.0841	2.1695	3.3992	2.5939	4.2899		2.5173	4.3128	3.5333
H10	3.3673	3.7964	3.3795	2.1526	1.0846	2.1544	4.5150	4.8870	2.5173		2.4940	5.2652
H11	2.0618	3.2514	3.8120	3.3908	2.1603	1.0865	5.1718	4.1227	4.3128	2.4940		5.5549
H12	3.7783	2.4507	1.9072	3.1695	4.2929	4.4926	0.9636	2.2943	3.5333	5.2652	5.5549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.578	N1	C2	H8	116.720
N1	C6	C5	122.953	N1	C6	H11	116.392
C2	N1	C6	117.737	C2	C3	C4	118.364
C2	C3	O7	122.970	C3	C2	H8	119.702
C3	C4	C5	118.164	C3	C4	H9	119.630
C3	O7	H12	109.151	C4	C3	O7	118.666
C4	C5	C6	119.205	C4	C5	H10	120.548
C5	C4	H9	122.206	C5	C6	H11	120.655
C6	C5	H10	120.248

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

using model chemistry: B3LYP/6-31G(2df,p)

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: B3LYP/6-31G(2df,p)

States and conformations

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