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	hartrees
Energy at 0K	-323.405078
Energy at 298.15K	-323.411628
HF Energy	-323.405078
Nuclear repulsion energy	272.921753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3517	3488	36.41
2	A'	3140	3115	6.42
3	A'	3131	3106	23.66
4	A'	3109	3083	12.04
5	A'	3087	3062	24.14
6	A'	1599	1586	66.29
7	A'	1576	1563	66.60
8	A'	1475	1463	88.38
9	A'	1455	1444	49.74
10	A'	1350	1339	45.97
11	A'	1299	1288	33.33
12	A'	1288	1278	49.51
13	A'	1180	1170	138.82
14	A'	1150	1140	18.56
15	A'	1081	1072	23.50
16	A'	1036	1027	2.47
17	A'	971	964	7.38
18	A'	835	828	10.51
19	A'	623	617	2.56
20	A'	549	544	0.61
21	A'	405	402	15.70
22	A"	954	947	0.03
23	A"	927	919	0.32
24	A"	845	838	0.81
25	A"	760	754	44.17
26	A"	724	718	0.60
27	A"	570	565	68.77
28	A"	495	491	43.57
29	A"	409	406	0.38
30	A"	208	206	0.64

Atom	x (Å)	y (Å)
N1	-1.189	0.301
C2	0.000	0.917
C3	1.240	0.226
C4	1.200	-1.171
C5	-0.048	-1.837
C6	-1.209	-1.052
O7	0.019	2.279
H8	2.176	0.787
H9	2.132	-1.744
H10	-0.111	-2.927
H11	-2.201	-1.518
H12	-0.919	2.567

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3392	2.4305	2.8066	2.4237	1.3539	2.3175	3.4005	3.9007	3.4037	2.0821	2.2814
C2	1.3392		1.4193	2.4079	2.7539	2.3105	1.3624	2.1801	3.4096	3.8452	3.2826	1.8883
C3	2.4305	1.4193		1.3973	2.4316	2.7620	2.3889	1.0915	2.1626	3.4298	3.8579	3.1839
C4	2.8066	2.4079	1.3973		1.4146	2.4115	3.6465	2.1874	1.0940	2.1913	3.4191	4.2961
C5	2.4237	2.7539	2.4316	1.4146		1.4007	4.1163	3.4394	2.1818	1.0919	2.1767	4.4885
C6	1.3539	2.3105	2.7620	2.4115	1.4007		3.5503	3.8522	3.4113	2.1723	1.0966	3.6306
O7	2.3175	1.3624	2.3889	3.6465	4.1163	3.5503		2.6235	4.5444	5.2075	4.3986	0.9802
H8	3.4005	2.1801	1.0915	2.1874	3.4394	3.8522	2.6235		2.5312	4.3612	4.9473	3.5701
H9	3.9007	3.4096	2.1626	1.0940	2.1818	3.4113	4.5444	2.5312		2.5353	4.3390	5.2808
H10	3.4037	3.8452	3.4298	2.1913	1.0919	2.1723	5.2075	4.3612	2.5353		2.5209	5.5525
H11	2.0821	3.2826	3.8579	3.4191	2.1767	1.0966	4.3986	4.9473	4.3390	2.5209		4.2816
H12	2.2814	1.8883	3.1839	4.2961	4.4885	3.6306	0.9802	3.5701	5.2808	5.5525	4.2816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.516	N1	C2	O7	118.138
N1	C6	C5	123.243	N1	C6	H11	115.946
C2	N1	C6	118.163	C2	C3	C4	117.497
C2	C3	H8	119.955	C2	O7	H12	106.276
C3	C2	O7	118.346	C3	C4	C5	119.713
C3	C4	H9	119.973	C4	C3	H8	122.548
C4	C5	C6	117.869	C4	C5	H10	121.372
C5	C4	H9	120.314	C5	C6	H11	120.811
C6	C5	H10	120.760

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	N	-0.465
2	C	0.480
3	C	-0.128
4	C	-0.084
5	C	-0.108
6	C	0.041
7	O	-0.576
8	H	0.116
9	H	0.115
10	H	0.105
11	H	0.117
12	H	0.387

	x	y	z	Total
	0.370	-1.019	0.000	1.084
CHELPG
AIM
ESP

	x	y	z
x	10.185	0.020	0.000
y	0.020	12.083	0.000
z	0.000	0.000	3.341

<r²>	179.125
(<r²>)^1/2	13.384

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

using model chemistry: BLYP/6-31G*

States and conformations

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