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	hartrees
Energy at 0K	-323.345621
Energy at 298.15K	-323.339319
HF Energy	-323.530977
Nuclear repulsion energy	274.391852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3813	3679	52.94
2	A'	3209	3097	4.36
3	A'	3172	3061	14.71
4	A'	3156	3045	23.41
5	A'	3150	3039	19.55
6	A'	1643	1586	85.98
7	A'	1627	1570	131.16
8	A'	1533	1480	35.94
9	A'	1459	1408	27.34
10	A'	1383	1335	23.97
11	A'	1327	1281	7.37
12	A'	1320	1274	70.52
13	A'	1243	1200	13.52
14	A'	1195	1153	116.52
15	A'	1102	1064	4.59
16	A'	1077	1039	0.06
17	A'	1007	972	15.28
18	A'	850	820	43.17
19	A'	678	655	0.11
20	A'	527	508	0.55
21	A'	408	394	9.50
22	A"	1000	965	0.13
23	A"	976	942	0.41
24	A"	865	834	8.31
25	A"	834	805	28.76
26	A"	759	732	0.43
27	A"	548	529	10.83
28	A"	423	408	95.20
29	A"	396	383	12.32
30	A"	230	222	0.73

Atom	x (Å)	y (Å)
N1	0.022	-1.874
C2	-1.118	-1.181
C3	-1.192	0.208
C4	0.000	0.934
C5	1.204	0.230
C6	1.152	-1.157
O7	0.048	2.287
H8	-2.036	-1.765
H9	-2.155	0.711
H10	2.147	0.764
H11	2.078	-1.728
H12	-0.850	2.638

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3348	2.4105	2.8082	2.4135	1.3383	4.1619	2.0611	3.3796	3.3875	2.0614	4.5960
C2	1.3348		1.3909	2.3921	2.7175	2.2707	3.6590	1.0878	2.1569	3.8005	3.2432	3.8284
C3	2.4105	1.3909		1.3953	2.3963	2.7128	2.4207	2.1461	1.0863	3.3845	3.8001	2.4540
C4	2.8082	2.3921	1.3953		1.3951	2.3876	1.3546	3.3805	2.1662	2.1535	3.3768	1.9046
C5	2.4135	2.7175	2.3963	1.3951		1.3882	2.3606	3.8051	3.3934	1.0833	2.1437	3.1655
C6	1.3383	2.2707	2.7128	2.3876	1.3882		3.6177	3.2456	3.7982	2.1636	1.0876	4.2913
O7	4.1619	3.6590	2.4207	1.3546	2.3606	3.6177		4.5567	2.7086	2.5937	4.4995	0.9636
H8	2.0611	1.0878	2.1461	3.3805	3.8051	3.2456	4.5567		2.4786	4.8879	4.1145	4.5601
H9	3.3796	2.1569	1.0863	2.1662	3.3934	3.7982	2.7086	2.4786		4.3019	4.8852	2.3276
H10	3.3875	3.8005	3.3845	2.1535	1.0833	2.1636	2.5937	4.8879	4.3019		2.4926	3.5345
H11	2.0614	3.2432	3.8001	3.3768	2.1437	1.0876	4.4995	4.1145	4.8852	2.4926		5.2569
H12	4.5960	3.8284	2.4540	1.9046	3.1655	4.2913	0.9636	4.5601	2.3276	3.5345	5.2569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.119	N1	C2	H8	116.519
N1	C6	C5	124.312	N1	C6	H11	116.234
C2	N1	C6	116.722	C2	C3	C4	118.321
C2	C3	H9	120.552	C3	C2	H8	119.363
C3	C4	C5	118.337	C3	C4	O7	123.396
C4	C3	H9	121.127	C4	C5	C6	118.190
C4	C5	H10	120.096	C4	O7	H12	109.808
C5	C4	O7	118.267	C5	C6	H11	119.454
C6	C5	H10	121.715

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

using model chemistry: G4

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

using model chemistry: G4

States and conformations

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