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	hartrees
Energy at 0K	-322.634106
Energy at 298.15K	-322.640590
HF Energy	-321.576851
Nuclear repulsion energy	274.104379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3945	3675	68.51
2	A'	3315	3088	2.86
3	A'	3286	3062	11.93
4	A'	3278	3054	19.34
5	A'	3269	3045	8.57
6	A'	1712	1595	143.23
7	A'	1694	1579	72.57
8	A'	1586	1477	46.20
9	A'	1502	1400	20.88
10	A'	1420	1323	20.14
11	A'	1347	1255	67.86
12	A'	1302	1213	60.45
13	A'	1274	1187	17.12
14	A'	1205	1122	88.44
15	A'	1134	1057	3.66
16	A'	1105	1030	1.64
17	A'	1036	965	10.68
18	A'	864	805	44.40
19	A'	691	644	0.23
20	A'	534	498	0.15
21	A'	412	384	11.84
22	A"	986	918	0.01
23	A"	936	872	2.19
24	A"	849	791	3.21
25	A"	798	743	50.97
26	A"	655	610	9.15
27	A"	531	495	19.26
28	A"	391	364	0.88
29	A"	323	301	124.44
30	A"	219	204	0.53

Atom	x (Å)	y (Å)
N1	0.018	-1.876
C2	-1.124	-1.183
C3	-1.195	0.211
C4	0.000	0.933
C5	1.206	0.228
C6	1.154	-1.162
O7	0.053	2.291
H8	-2.038	-1.762
H9	-2.153	0.711
H10	2.145	0.759
H11	2.074	-1.731
H12	-0.831	2.664

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3361	2.4140	2.8092	2.4164	1.3415	4.1672	2.0594	3.3775	3.3862	2.0612	4.6191
C2	1.3361		1.3962	2.3965	2.7244	2.2787	3.6686	1.0818	2.1558	3.8026	3.2452	3.8587
C3	2.4140	1.3962		1.3958	2.4006	2.7211	2.4257	2.1462	1.0810	3.3840	3.8023	2.4799
C4	2.8092	2.3965	1.3958		1.3967	2.3925	1.3590	3.3792	2.1644	2.1518	3.3764	1.9205
C5	2.4164	2.7244	2.4006	1.3967		1.3918	2.3628	3.8061	3.3934	1.0785	2.1432	3.1756
C6	1.3415	2.2787	2.7211	2.3925	1.3918		3.6248	3.2482	3.8012	2.1619	1.0815	4.3113
O7	4.1672	3.6686	2.4257	1.3590	2.3628	3.6248		4.5612	2.7137	2.5923	4.5012	0.9603
H8	2.0594	1.0818	2.1462	3.3792	3.8061	3.2482	4.5612		2.4763	4.8841	4.1125	4.5882
H9	3.3775	2.1558	1.0810	2.1644	3.3934	3.8012	2.7137	2.4763		4.2980	4.8820	2.3582
H10	3.3862	3.8026	3.3840	2.1518	1.0785	2.1619	2.5923	4.8841	4.2980		2.4912	3.5337
H11	2.0612	3.2452	3.8023	3.3764	2.1432	1.0815	4.5012	4.1125	4.8820	2.4912		5.2689
H12	4.6191	3.8587	2.4799	1.9205	3.1756	4.3113	0.9603	4.5882	2.3582	3.5337	5.2689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.116	N1	C2	H8	116.408
N1	C6	C5	124.255	N1	C6	H11	116.157
C2	N1	C6	116.641	C2	C3	C4	118.259
C2	C3	H9	120.442	C3	C2	H8	119.477
C3	C4	C5	118.551	C3	C4	O7	123.401
C4	C3	H9	121.299	C4	C5	C6	118.178
C4	C5	H10	120.211	C4	O7	H12	110.614
C5	C4	O7	118.049	C5	C6	H11	119.588
C6	C5	H10	121.610

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

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

States and conformations

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