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	hartrees
Energy at 0K	-323.190207
Energy at 298.15K
HF Energy	-322.859422
Nuclear repulsion energy	275.309320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3713	3523	74.82
2	A'	3258	3091	2.48
3	A'	3250	3083	14.88
4	A'	3226	3060	11.01
5	A'	3212	3047	16.21
6	A'	1678	1592	79.06
7	A'	1653	1568	82.91
8	A'	1538	1460	138.50
9	A'	1514	1437	32.77
10	A'	1397	1326	49.44
11	A'	1358	1289	45.93
12	A'	1344	1275	21.52
13	A'	1226	1163	153.40
14	A'	1189	1128	23.11
15	A'	1124	1066	24.62
16	A'	1077	1021	3.06
17	A'	1012	960	7.72
18	A'	868	824	11.68
19	A'	642	609	2.92
20	A'	569	540	0.67
21	A'	419	397	17.20
22	A"	978	928	0.08
23	A"	965	915	0.53
24	A"	875	830	1.01
25	A"	786	746	57.41
26	A"	740	703	2.50
27	A"	566	537	54.10
28	A"	502	476	76.67
29	A"	421	400	0.14
30	A"	218	207	0.71

Atom	x (Å)	y (Å)
N1	-1.182	0.302
C2	0.000	0.907
C3	1.230	0.224
C4	1.191	-1.161
C5	-0.048	-1.821
C6	-1.199	-1.043
O7	0.020	2.258
H8	2.158	0.783
H9	2.116	-1.731
H10	-0.111	-2.903
H11	-2.184	-1.505
H12	-0.908	2.543

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3277	2.4125	2.7873	2.4064	1.3450	2.2964	3.3740	3.8731	3.3788	2.0657	2.2583
C2	1.3277		1.4066	2.3869	2.7288	2.2895	1.3514	2.1616	3.3813	3.8119	3.2536	1.8714
C3	2.4125	1.4066		1.3862	2.4117	2.7396	2.3666	1.0834	2.1461	3.4026	3.8265	3.1543
C4	2.7873	2.3869	1.3862		1.4036	2.3928	3.6147	2.1716	1.0859	2.1744	3.3921	4.2582
C5	2.4064	2.7288	2.4117	1.4036		1.3891	4.0802	3.4129	2.1657	1.0837	2.1591	4.4485
C6	1.3450	2.2895	2.7396	2.3928	1.3891		3.5196	3.8215	3.3852	2.1547	1.0876	3.5983
O7	2.2964	1.3514	2.3666	3.6147	4.0802	3.5196		2.5975	4.5058	5.1632	4.3611	0.9714
H8	3.3740	2.1616	1.0834	2.1716	3.4129	3.8215	2.5975		2.5137	4.3284	4.9076	3.5358
H9	3.8731	3.3813	2.1461	1.0859	2.1657	3.3852	4.5058	2.5137		2.5166	4.3055	5.2355
H10	3.3788	3.8119	3.4026	2.1744	1.0837	2.1547	5.1632	4.3284	2.5166		2.5005	5.5045
H11	2.0657	3.2536	3.8265	3.3921	2.1591	1.0876	4.3611	4.9076	4.3055	2.5005		4.2442
H12	2.2583	1.8714	3.1543	4.2582	4.4485	3.5983	0.9714	3.5358	5.2355	5.5045	4.2442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.818	N1	C2	O7	117.993
N1	C6	C5	123.312	N1	C6	H11	115.844
C2	N1	C6	117.879	C2	C3	C4	117.439
C2	C3	H8	119.913	C2	O7	H12	106.199
C3	C2	O7	118.189	C3	C4	C5	119.641
C3	C4	H9	119.995	C4	C3	H8	122.648
C4	C5	C6	117.911	C4	C5	H10	121.362
C5	C4	H9	120.364	C5	C6	H11	120.844
C6	C5	H10	120.727

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for C5H5NO (2-Pyridinol)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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