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	hartrees
Energy at 0K	-323.187885
Energy at 298.15K	-323.194508
HF Energy	-323.187885
Nuclear repulsion energy	274.479362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3872	3697	68.71
2	A'	3246	3099	2.54
3	A'	3211	3066	12.04
4	A'	3198	3053	19.69
5	A'	3191	3047	14.67
6	A'	1675	1599	118.29
7	A'	1661	1586	142.97
8	A'	1550	1480	51.05
9	A'	1474	1407	20.56
10	A'	1381	1319	26.87
11	A'	1360	1298	14.44
12	A'	1335	1275	66.08
13	A'	1249	1192	21.76
14	A'	1193	1139	127.52
15	A'	1111	1061	3.77
16	A'	1084	1035	1.54
17	A'	1018	972	10.72
18	A'	859	820	40.88
19	A'	681	650	0.13
20	A'	528	504	0.28
21	A'	410	391	11.77
22	A"	1004	959	0.04
23	A"	971	927	0.04
24	A"	856	817	11.09
25	A"	826	789	48.64
26	A"	745	712	0.00
27	A"	543	518	22.19
28	A"	404	385	66.66
29	A"	392	374	55.58
30	A"	226	216	0.52

Atom	x (Å)	y (Å)
N1	0.020	-1.870
C2	-1.120	-1.182
C3	-1.194	0.210
C4	0.000	0.934
C5	1.206	0.230
C6	1.153	-1.159
O7	0.050	2.284
H8	-2.039	-1.767
H9	-2.159	0.711
H10	2.150	0.764
H11	2.079	-1.732
H12	-0.838	2.654

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3322	2.4089	2.8044	2.4117	1.3371	4.1541	2.0623	3.3787	3.3877	2.0633	4.6055
C2	1.3322		1.3941	2.3944	2.7213	2.2732	3.6582	1.0892	2.1597	3.8059	3.2462	3.8469
C3	2.4089	1.3941		1.3965	2.4003	2.7172	2.4184	2.1500	1.0876	3.3901	3.8058	2.4701
C4	2.8044	2.3944	1.3965		1.3966	2.3897	1.3506	3.3843	2.1710	2.1571	3.3806	1.9138
C5	2.4117	2.7213	2.4003	1.3966		1.3901	2.3568	3.8104	3.3998	1.0850	2.1470	3.1714
C6	1.3371	2.2732	2.7172	2.3897	1.3901		3.6152	3.2494	3.8039	2.1666	1.0889	4.3022
O7	4.1541	3.6582	2.4184	1.3506	2.3568	3.6152		4.5577	2.7122	2.5923	4.4989	0.9628
H8	2.0623	1.0892	2.1500	3.3843	3.8104	3.2494	4.5577		2.4808	4.8947	4.1185	4.5814
H9	3.3787	2.1597	1.0876	2.1710	3.3998	3.8039	2.7122	2.4808		4.3102	4.8921	2.3499
H10	3.3877	3.8059	3.3901	2.1571	1.0850	2.1666	2.5923	4.8947	4.3102		2.4967	3.5364
H11	2.0633	3.2462	3.8058	3.3806	2.1470	1.0889	4.4989	4.1185	4.8921	2.4967		5.2677
H12	4.6055	3.8469	2.4701	1.9138	3.1714	4.3022	0.9628	4.5814	2.3499	3.5364	5.2677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.138	N1	C2	H8	116.432
N1	C6	C5	124.318	N1	C6	H11	116.161
C2	N1	C6	116.775	C2	C3	C4	118.190
C2	C3	H9	120.466	C3	C2	H8	119.430
C3	C4	C5	118.495	C3	C4	O7	123.358
C4	C3	H9	121.344	C4	C5	C6	118.084
C4	C5	H10	120.226	C4	O7	H12	110.514
C5	C4	O7	118.148	C5	C6	H11	119.521
C6	C5	H10	121.690

All results from a given calculation for C₅H₅NO (4-Pyridinol)

using model chemistry: HSEh1PBE/6-31+G**

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	-0.145
2	C	-0.424
3	C	0.463
4	C	-0.533
5	C	0.557
6	C	-0.400
7	O	-0.505
8	H	0.154
9	H	0.147
10	H	0.172
11	H	0.155
12	H	0.361

	x	y	z	Total
	-1.438	2.416	0.000	2.811
CHELPG
AIM
ESP

	x	y	z
x	11.273	-0.209	0.000
y	-0.209	12.098	0.000
z	0.000	0.000	5.679

<r²>	178.979
(<r²>)^1/2	13.378

All results from a given calculation for C5H5NO (4-Pyridinol)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₅H₅NO (4-Pyridinol)