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	hartrees
Energy at 0K	-322.630622
Energy at 298.15K	-322.637004
HF Energy	-321.570346
Nuclear repulsion energy	274.147103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3943	3674	68.07
2	A'	3312	3085	6.07
3	A'	3298	3072	12.62
4	A'	3283	3058	3.99
5	A'	3245	3023	25.36
6	A'	1701	1585	29.43
7	A'	1694	1578	16.60
8	A'	1572	1465	25.41
9	A'	1516	1412	103.27
10	A'	1412	1315	18.99
11	A'	1340	1248	56.19
12	A'	1298	1209	101.81
13	A'	1260	1174	46.16
14	A'	1206	1124	46.68
15	A'	1157	1077	10.86
16	A'	1089	1015	2.89
17	A'	1055	982	4.98
18	A'	859	800	9.01
19	A'	643	599	3.35
20	A'	559	521	5.97
21	A'	402	374	14.68
22	A"	949	884	0.01
23	A"	929	865	0.10
24	A"	889	828	0.31
25	A"	789	735	70.05
26	A"	619	577	4.35
27	A"	499	465	1.00
28	A"	405	377	7.72
29	A"	271	252	126.51
30	A"	226	210	0.64

Atom	x (Å)	y (Å)
N1	-1.207	-1.160
C2	-1.183	0.177
C3	0.000	0.922
C4	1.219	0.243
C5	1.195	-1.148
C6	-0.039	-1.808
O7	0.018	2.287
H8	-2.143	0.681
H9	2.143	0.801
H10	2.115	-1.714
H11	-0.085	-2.888
H12	-0.878	2.633

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3367	2.4063	2.8019	2.4018	1.3358	3.6574	2.0654	3.8813	3.3670	2.0598	3.8066
C2	1.3367		1.3985	2.4032	2.7226	2.2912	2.4277	1.0843	3.3842	3.8012	3.2552	2.4748
C3	2.4063	1.3985		1.3955	2.3904	2.7303	1.3646	2.1567	2.1461	3.3791	3.8106	1.9228
C4	2.8019	2.4032	1.3955		1.3910	2.4056	2.3707	3.3906	1.0796	2.1516	3.3912	3.1796
C5	2.4018	2.7226	2.3904	1.3910		1.3992	3.6308	3.8066	2.1676	1.0794	2.1600	4.3119
C6	1.3358	2.2912	2.7303	2.4056	1.3992		4.0949	3.2595	3.4011	2.1552	1.0806	4.5193
O7	3.6574	2.4277	1.3646	2.3707	3.6308	4.0949		2.6921	2.5925	4.5164	5.1752	0.9605
H8	2.0654	1.0843	2.1567	3.3906	3.8066	3.2595	2.6921		4.2876	4.8849	4.1195	2.3257
H9	3.8813	3.3842	2.1461	1.0796	2.1676	3.4011	2.5925	4.2876		2.5153	4.3096	3.5326
H10	3.3670	3.8012	3.3791	2.1516	1.0794	2.1552	4.5164	4.8849	2.5153		2.4934	5.2770
H11	2.0598	3.2552	3.8106	3.3912	2.1600	1.0806	5.1752	4.1195	4.3096	2.4934		5.5769
H12	3.8066	2.4748	1.9228	3.1796	4.3119	4.5193	0.9605	2.3257	3.5326	5.2770	5.5769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.205	N1	C2	H8	116.717
N1	C6	C5	122.831	N1	C6	H11	116.560
C2	N1	C6	118.030	C2	C3	C4	118.663
C2	C3	O7	122.951	C3	C2	H8	120.078
C3	C4	C5	118.152	C3	C4	H9	119.702
C3	O7	H12	110.377	C4	C3	O7	118.386
C4	C5	C6	119.120	C4	C5	H10	120.621
C5	C4	H9	122.146	C5	C6	H11	120.609
C6	C5	H10	120.260

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

using model chemistry: MP3=FULL/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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All results from a given calculation for C5H5NO (3-Pyridinol)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

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