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	hartrees
Energy at 0K	-321.567106
Energy at 298.15K	-321.574208
HF Energy	-321.567106
Nuclear repulsion energy	278.119814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4076	3662	129.64
2	A'	3413	3066	2.60
3	A'	3402	3057	22.34
4	A'	3376	3034	28.03
5	A'	3370	3028	5.22
6	A'	1821	1636	122.46
7	A'	1800	1617	167.71
8	A'	1664	1495	165.11
9	A'	1626	1461	60.70
10	A'	1489	1338	26.66
11	A'	1456	1308	76.62
12	A'	1350	1213	104.76
13	A'	1310	1177	82.77
14	A'	1213	1090	13.48
15	A'	1196	1074	63.27
16	A'	1143	1027	4.44
17	A'	1085	975	13.66
18	A'	928	834	10.30
19	A'	688	618	3.46
20	A'	612	550	0.97
21	A'	457	410	18.45
22	A"	1126	1012	0.52
23	A"	1106	994	0.12
24	A"	970	872	6.91
25	A"	875	786	90.62
26	A"	834	750	0.04
27	A"	600	539	9.92
28	A"	518	465	145.40
29	A"	463	416	0.39
30	A"	247	222	1.07

Atom	x (Å)	y (Å)
N1	-1.165	0.303
C2	0.000	0.896
C3	1.221	0.219
C4	1.178	-1.153
C5	-0.054	-1.806
C6	-1.186	-1.026
O7	0.018	2.232
H8	2.140	0.773
H9	2.093	-1.719
H10	-0.123	-2.877
H11	-2.163	-1.476
H12	-0.882	2.537

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3075	2.3877	2.7590	2.3839	1.3299	2.2628	3.3383	3.8344	3.3467	2.0403	2.2516
C2	1.3075		1.3962	2.3638	2.7030	2.2594	1.3358	2.1435	3.3495	3.7756	3.2109	1.8628
C3	2.3877	1.3962		1.3728	2.3935	2.7106	2.3450	1.0726	2.1251	3.3757	3.7853	3.1299
C4	2.7590	2.3638	1.3728		1.3951	2.3679	3.5783	2.1522	1.0754	2.1605	3.3571	4.2262
C5	2.3839	2.7030	2.3935	1.3951		1.3743	4.0388	3.3859	2.1489	1.0734	2.1344	4.4213
C6	1.3299	2.2594	2.7106	2.3679	1.3743		3.4740	3.7816	3.3513	2.1342	1.0755	3.5764
O7	2.2628	1.3358	2.3450	3.5783	4.0388	3.4740		2.5755	4.4626	5.1113	4.3024	0.9505
H8	3.3383	2.1435	1.0726	2.1522	3.3859	3.7816	2.5755		2.4919	4.2945	4.8554	3.4996
H9	3.8344	3.3495	2.1251	1.0754	2.1489	3.3513	4.4626	2.4919		2.5005	4.2628	5.1926
H10	3.3467	3.7756	3.3757	2.1605	1.0734	2.1342	5.1113	4.2945	2.5005		2.4745	5.4671
H11	2.0403	3.2109	3.7853	3.3571	2.1344	1.0755	4.3024	4.8554	4.2628	2.4745		4.2128
H12	2.2516	1.8628	3.1299	4.2262	4.4213	3.5764	0.9505	3.4996	5.1926	5.4671	4.2128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.007	N1	C2	O7	117.747
N1	C6	C5	123.647	N1	C6	H11	115.636
C2	N1	C6	117.890	C2	C3	C4	117.227
C2	C3	H8	119.934	C2	O7	H12	107.941
C3	C2	O7	118.245	C3	C4	C5	119.705
C3	C4	H9	119.973	C4	C3	H8	122.839
C4	C5	C6	117.524	C4	C5	H10	121.602
C5	C4	H9	120.322	C5	C6	H11	120.717
C6	C5	H10	120.875

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

using model chemistry: HF/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	-0.627
2	C	0.669
3	C	-0.298
4	C	-0.128
5	C	-0.285
6	C	0.082
7	O	-0.738
8	H	0.226
9	H	0.217
10	H	0.209
11	H	0.206
12	H	0.467

	x	y	z	Total
	0.413	-1.410	0.000	1.470
CHELPG
AIM
ESP

	x	y	z
x	9.286	0.093	0.000
y	0.093	10.401	0.003
z	0.000	0.003	3.261

<r²>	173.805
(<r²>)^1/2	13.184

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

using model chemistry: HF/6-31G*

States and conformations

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