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	hartrees
Energy at 0K	-323.379940
Energy at 298.15K	-323.386705
HF Energy	-323.379940
Nuclear repulsion energy	276.076352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3785	3585	93.19
2	A'	3259	3087	0.56
3	A'	3249	3076	7.36
4	A'	3226	3055	7.71
5	A'	3205	3035	14.65
6	A'	1711	1620	92.35
7	A'	1692	1602	106.51
8	A'	1553	1471	168.40
9	A'	1524	1444	28.42
10	A'	1389	1316	79.57
11	A'	1367	1294	29.52
12	A'	1336	1266	8.39
13	A'	1233	1168	165.22
14	A'	1171	1109	20.37
15	A'	1128	1068	16.05
16	A'	1086	1028	2.57
17	A'	1020	966	8.20
18	A'	878	831	11.35
19	A'	640	606	2.76
20	A'	572	542	0.71
21	A'	427	404	16.42
22	A"	1020	966	0.00
23	A"	986	934	0.30
24	A"	894	847	2.96
25	A"	801	758	61.39
26	A"	763	722	0.67
27	A"	566	536	42.84
28	A"	502	475	94.22
29	A"	425	403	0.16
30	A"	222	210	0.75

Atom	x (Å)	y (Å)
N1	-1.178	0.303
C2	0.000	0.904
C3	1.228	0.222
C4	1.187	-1.160
C5	-0.050	-1.817
C6	-1.196	-1.037
O7	0.021	2.250
H8	2.155	0.784
H9	2.112	-1.731
H10	-0.116	-2.899
H11	-2.183	-1.496
H12	-0.904	2.541

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3224	2.4075	2.7815	2.4013	1.3401	2.2866	3.3677	3.8680	3.3733	2.0610	2.2547
C2	1.3224		1.4045	2.3811	2.7210	2.2798	1.3464	2.1585	3.3766	3.8042	3.2443	1.8704
C3	2.4075	1.4045		1.3827	2.4062	2.7316	2.3600	1.0839	2.1435	3.3978	3.8192	3.1503
C4	2.7815	2.3811	1.3827		1.4009	2.3868	3.6041	2.1711	1.0865	2.1729	3.3869	4.2513
C5	2.4013	2.7210	2.4062	1.4009		1.3863	4.0674	3.4093	2.1638	1.0839	2.1566	4.4408
C6	1.3401	2.2798	2.7316	2.3868	1.3863		3.5051	3.8138	3.3802	2.1525	1.0883	3.5899
O7	2.2866	1.3464	2.3600	3.6041	4.0674	3.5051		2.5896	4.4965	5.1505	4.3465	0.9699
H8	3.3677	2.1585	1.0839	2.1711	3.4093	3.8138	2.5896		2.5144	4.3261	4.9005	3.5284
H9	3.8680	3.3766	2.1435	1.0865	2.1638	3.3802	4.4965	2.5144		2.5156	4.3011	5.2293
H10	3.3733	3.8042	3.3978	2.1729	1.0839	2.1525	5.1505	4.3261	2.5156		2.4975	5.4966
H11	2.0610	3.2443	3.8192	3.3869	2.1566	1.0883	4.3465	4.9005	4.3011	2.4975		4.2351
H12	2.2547	1.8704	3.1503	4.2513	4.4408	3.5899	0.9699	3.5284	5.2293	5.4966	4.2351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.944	N1	C2	O7	117.908
N1	C6	C5	123.457	N1	C6	H11	115.751
C2	N1	C6	117.790	C2	C3	C4	117.360
C2	C3	H8	119.769	C2	O7	H12	106.572
C3	C2	O7	118.148	C3	C4	C5	119.632
C3	C4	H9	119.999	C4	C3	H8	122.871
C4	C5	C6	117.817	C4	C5	H10	121.440
C5	C4	H9	120.369	C5	C6	H11	120.792
C6	C5	H10	120.743

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

using model chemistry: M06-2X/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	-0.520
2	C	0.521
3	C	-0.195
4	C	-0.138
5	C	-0.189
6	C	0.025
7	O	-0.648
8	H	0.185
9	H	0.179
10	H	0.171
11	H	0.175
12	H	0.434

	x	y	z	Total
	0.365	-1.199	0.000	1.253
CHELPG
AIM
ESP

	x	y	z
x	9.689	0.075	0.000
y	0.075	11.196	0.000
z	0.000	0.000	3.316

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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