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	hartrees
Energy at 0K	-323.545178
Energy at 298.15K	-323.551745
HF Energy	-323.545178
Nuclear repulsion energy	274.099229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3778	3646	47.26
2	A'	3204	3092	8.74
3	A'	3187	3075	18.40
4	A'	3162	3051	11.96
5	A'	3107	2998	39.86
6	A'	1633	1576	11.17
7	A'	1619	1562	24.28
8	A'	1520	1466	14.46
9	A'	1468	1417	105.00
10	A'	1372	1324	23.48
11	A'	1331	1284	2.63
12	A'	1300	1255	92.51
13	A'	1228	1185	35.50
14	A'	1197	1155	103.12
15	A'	1124	1085	6.32
16	A'	1059	1022	1.18
17	A'	1023	987	7.75
18	A'	833	804	7.16
19	A'	621	599	4.12
20	A'	541	522	5.40
21	A'	383	370	12.08
22	A"	987	953	0.61
23	A"	944	911	1.15
24	A"	907	875	0.95
25	A"	828	799	25.54
26	A"	727	702	16.99
27	A"	520	502	0.09
28	A"	419	404	0.45
29	A"	393	380	109.06
30	A"	229	221	0.06

Atom	x (Å)	y (Å)
N1	-1.208	-1.162
C2	-1.180	0.172
C3	0.000	0.923
C4	1.219	0.246
C5	1.195	-1.144
C6	-0.034	-1.803
O7	0.014	2.286
H8	-2.147	0.679
H9	2.147	0.808
H10	2.121	-1.710
H11	-0.082	-2.889
H12	-0.900	2.599

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3343	2.4097	2.8058	2.4030	1.3372	3.6577	2.0666	3.8902	3.3733	2.0615	3.7739
C2	1.3343		1.3990	2.4007	2.7154	2.2836	2.4277	1.0913	3.3873	3.7998	3.2520	2.4434
C3	2.4097	1.3990		1.3949	2.3875	2.7267	1.3625	2.1605	2.1500	3.3811	3.8130	1.9024
C4	2.8058	2.4007	1.3949		1.3895	2.4020	2.3694	3.3937	1.0846	2.1535	3.3939	3.1672
C5	2.4030	2.7154	2.3875	1.3895		1.3953	3.6269	3.8065	2.1712	1.0852	2.1626	4.2894
C6	1.3372	2.2836	2.7267	2.4020	1.3953		4.0892	3.2594	3.4023	2.1571	1.0867	4.4869
O7	3.6577	2.4277	1.3625	2.3694	3.6269	4.0892		2.6925	2.5948	4.5171	5.1754	0.9663
H8	2.0666	1.0913	2.1605	3.3937	3.8065	3.2594	2.6925		4.2955	4.8906	4.1223	2.2894
H9	3.8902	3.3873	2.1500	1.0846	2.1712	3.4023	2.5948	4.2955		2.5181	4.3166	3.5345
H10	3.3733	3.7998	3.3811	2.1535	1.0852	2.1571	4.5171	4.8906	2.5181		2.4982	5.2627
H11	2.0615	3.2520	3.8130	3.3939	2.1626	1.0867	5.1754	4.1223	4.3166	2.4982		5.5488
H12	3.7739	2.4434	1.9024	3.1672	4.2894	4.4869	0.9663	2.2894	3.5345	5.2627	5.5488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.658	N1	C2	H8	116.502
N1	C6	C5	123.130	N1	C6	H11	116.148
C2	N1	C6	117.474	C2	C3	C4	118.463
C2	C3	O7	123.064	C3	C2	H8	119.840
C3	C4	C5	118.064	C3	C4	H9	119.720
C3	O7	H12	108.355	C4	C3	O7	118.473
C4	C5	C6	119.211	C4	C5	H10	120.472
C5	C4	H9	122.216	C5	C6	H11	120.722
C6	C5	H10	120.317

All results from a given calculation for C₅H₅NO (3-Pyridinol)

using model chemistry: TPSSh/6-31G(2df,p)

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 (3-Pyridinol)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₅NO (3-Pyridinol)