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	hartrees
Energy at 0K	-322.579681
Energy at 298.15K	-322.586400
HF Energy	-321.564979
Nuclear repulsion energy	275.698283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3780	3547	84.20
2	A'	3281	3078	1.09
3	A'	3273	3071	11.34
4	A'	3246	3046	12.68
5	A'	3238	3039	9.47
6	A'	1727	1620	67.67
7	A'	1700	1596	97.42
8	A'	1573	1476	155.15
9	A'	1541	1446	27.55
10	A'	1410	1323	47.19
11	A'	1379	1294	57.20
12	A'	1309	1228	30.57
13	A'	1249	1172	123.88
14	A'	1192	1119	40.80
15	A'	1147	1076	24.81
16	A'	1095	1027	3.70
17	A'	1033	969	9.78
18	A'	881	827	12.79
19	A'	651	611	2.92
20	A'	578	542	0.74
21	A'	424	398	18.25
22	A"	965	905	0.18
23	A"	948	890	2.00
24	A"	875	821	0.62
25	A"	788	740	63.09
26	A"	714	670	7.18
27	A"	552	518	42.47
28	A"	496	465	100.26
29	A"	418	392	0.02
30	A"	225	211	0.62

Atom	x (Å)	y (Å)
N1	-1.180	0.305
C2	0.000	0.904
C3	1.228	0.221
C4	1.189	-1.162
C5	-0.051	-1.818
C6	-1.198	-1.040
O7	0.023	2.255
H8	2.157	0.780
H9	2.114	-1.732
H10	-0.116	-2.900
H11	-2.184	-1.500
H12	-0.903	2.546

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3234	2.4091	2.7855	2.4040	1.3450	2.2920	3.3701	3.8724	3.3769	2.0651	2.2590
C2	1.3234		1.4050	2.3830	2.7221	2.2838	1.3517	2.1601	3.3788	3.8060	3.2479	1.8744
C3	2.4091	1.4050		1.3830	2.4064	2.7341	2.3644	1.0842	2.1446	3.3980	3.8213	3.1541
C4	2.7855	2.3830	1.3830		1.4022	2.3896	3.6103	2.1696	1.0869	2.1735	3.3896	4.2572
C5	2.4040	2.7221	2.4064	1.4022		1.3859	4.0739	3.4090	2.1660	1.0845	2.1570	4.4467
C6	1.3450	2.2838	2.7341	2.3896	1.3859		3.5148	3.8167	3.3831	2.1520	1.0879	3.5990
O7	2.2920	1.3517	2.3644	3.6103	4.0739	3.5148		2.5938	4.5024	5.1576	4.3561	0.9707
H8	3.3701	2.1601	1.0842	2.1696	3.4090	3.8167	2.5938		2.5128	4.3254	4.9031	3.5327
H9	3.8724	3.3788	2.1446	1.0869	2.1660	3.3831	4.5024	2.5128		2.5167	4.3040	5.2351
H10	3.3769	3.8060	3.3980	2.1735	1.0845	2.1520	5.1576	4.3254	2.5167		2.4979	5.5034
H11	2.0651	3.2479	3.8213	3.3896	2.1570	1.0879	4.3561	4.9031	4.3040	2.4979		4.2444
H12	2.2590	1.8744	3.1541	4.2572	4.4467	3.5990	0.9707	3.5327	5.2351	5.5034	4.2444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.983	N1	C2	O7	117.911
N1	C6	C5	123.347	N1	C6	H11	115.764
C2	N1	C6	117.703	C2	C3	C4	117.462
C2	C3	H8	119.855	C2	O7	H12	106.464
C3	C2	O7	118.107	C3	C4	C5	119.529
C3	C4	H9	120.045	C4	C3	H8	122.683
C4	C5	C6	117.977	C4	C5	H10	121.336
C5	C4	H9	120.426	C5	C6	H11	120.890
C6	C5	H10	120.686

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

using model chemistry: MP3=FULL/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 (2-Pyridinol)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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