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	hartrees
Energy at 0K	-323.175333
Energy at 298.15K	-323.182089
Nuclear repulsion energy	276.148295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3744	3561	74.59
2	A'	3257	3097	2.08
3	A'	3249	3090	13.49
4	A'	3223	3066	9.87
5	A'	3204	3047	18.80
6	A'	1695	1612	98.06
7	A'	1672	1590	96.13
8	A'	1547	1471	162.68
9	A'	1519	1445	20.43
10	A'	1397	1329	64.86
11	A'	1365	1298	28.55
12	A'	1357	1291	14.39
13	A'	1226	1166	162.62
14	A'	1178	1120	18.68
15	A'	1124	1069	21.03
16	A'	1081	1028	3.00
17	A'	1015	966	7.63
18	A'	876	834	9.86
19	A'	640	609	2.83
20	A'	570	542	0.72
21	A'	422	401	17.44
22	A"	1003	954	0.00
23	A"	979	931	0.44
24	A"	882	839	2.10
25	A"	795	756	62.53
26	A"	759	722	0.60
27	A"	580	552	59.42
28	A"	509	484	70.55
29	A"	424	403	0.23
30	A"	219	208	0.83

Atom	x (Å)	y (Å)
N1	-1.178	0.302
C2	0.000	0.905
C3	1.228	0.224
C4	1.188	-1.158
C5	-0.048	-1.816
C6	-1.195	-1.037
O7	0.017	2.249
H8	2.157	0.784
H9	2.114	-1.728
H10	-0.112	-2.899
H11	-2.182	-1.497
H12	-0.911	2.527

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3229	2.4068	2.7802	2.4002	1.3387	2.2841	3.3695	3.8675	3.3735	2.0605	2.2406
C2	1.3229		1.4039	2.3806	2.7209	2.2795	1.3441	2.1607	3.3767	3.8053	3.2449	1.8604
C3	2.4068	1.4039		1.3830	2.4063	2.7313	2.3590	1.0848	2.1442	3.3987	3.8198	3.1428
C4	2.7802	2.3806	1.3830		1.4004	2.3862	3.6026	2.1704	1.0872	2.1731	3.3872	4.2410
C5	2.4002	2.7209	2.4063	1.4004		1.3865	4.0650	3.4091	2.1638	1.0851	2.1575	4.4275
C6	1.3387	2.2795	2.7313	2.3862	1.3865		3.5017	3.8146	3.3804	2.1540	1.0892	3.5746
O7	2.2841	1.3441	2.3590	3.6026	4.0650	3.5017		2.5935	4.4960	5.1493	4.3436	0.9690
H8	3.3695	2.1607	1.0848	2.1704	3.4091	3.8146	2.5935		2.5126	4.3261	4.9022	3.5289
H9	3.8675	3.3767	2.1442	1.0872	2.1638	3.3804	4.4960	2.5126		2.5155	4.3021	5.2209
H10	3.3735	3.8053	3.3987	2.1731	1.0851	2.1540	5.1493	4.3261	2.5155		2.4995	5.4842
H11	2.0605	3.2449	3.8198	3.3872	2.1575	1.0892	4.3436	4.9022	4.3021	2.4995		4.2198
H12	2.2406	1.8604	3.1428	4.2410	4.4275	3.5746	0.9690	3.5289	5.2209	5.4842	4.2198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.906	N1	C2	O7	117.831
N1	C6	C5	123.456	N1	C6	H11	115.753
C2	N1	C6	117.841	C2	C3	C4	117.347
C2	C3	H8	119.952	C2	O7	H12	105.945
C3	C2	O7	118.264	C3	C4	C5	119.653
C3	C4	H9	119.986	C4	C3	H8	122.701
C4	C5	C6	117.797	C4	C5	H10	121.414
C5	C4	H9	120.361	C5	C6	H11	120.791
C6	C5	H10	120.789

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

using model chemistry: HSEh1PBE/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	-0.518
2	C	0.530
3	C	-0.212
4	C	-0.135
5	C	-0.199
6	C	0.022
7	O	-0.629
8	H	0.186
9	H	0.180
10	H	0.172
11	H	0.176
12	H	0.427

	x	y	z	Total
	0.379	-1.121	0.000	1.184
CHELPG
AIM
ESP

	x	y	z
x	9.772	0.058	0.000
y	0.058	11.373	0.000
z	0.000	0.000	3.339

<r²>	175.341
(<r²>)^1/2	13.242

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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