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	hartrees
Energy at 0K	-321.742702
Energy at 298.15K	-321.749200
Nuclear repulsion energy	274.805112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3645	3577	43.14
2	A'	3155	3096	1.25
3	A'	3110	3052	9.42
4	A'	3096	3038	21.41
5	A'	3090	3032	18.98
6	A'	1655	1624	109.45
7	A'	1639	1608	123.32
8	A'	1523	1495	37.53
9	A'	1453	1425	15.84
10	A'	1402	1375	34.57
11	A'	1340	1315	1.45
12	A'	1334	1309	56.02
13	A'	1218	1195	11.82
14	A'	1172	1150	144.08
15	A'	1080	1060	3.08
16	A'	1054	1034	0.86
17	A'	993	975	9.48
18	A'	848	832	36.57
19	A'	664	651	0.19
20	A'	513	504	1.17
21	A'	396	389	12.51
22	A"	949	931	0.08
23	A"	925	908	0.04
24	A"	822	807	11.29
25	A"	790	775	34.68
26	A"	732	718	0.08
27	A"	528	518	9.21
28	A"	453	444	126.28
29	A"	376	369	3.70
30	A"	221	217	0.44

Atom	x (Å)	y (Å)
N1	0.024	-1.868
C2	-1.115	-1.179
C3	-1.190	0.208
C4	0.000	0.933
C5	1.204	0.232
C6	1.152	-1.153
O7	0.045	2.276
H8	-2.042	-1.770
H9	-2.163	0.717
H10	2.153	0.777
H11	2.088	-1.729
H12	-0.872	2.621

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3316	2.4044	2.8010	2.4081	1.3349	4.1434	2.0688	3.3855	3.3947	2.0686	4.5774
C2	1.3316		1.3884	2.3883	2.7142	2.2672	3.6440	1.0995	2.1656	3.8084	3.2503	3.8076
C3	2.4044	1.3884		1.3935	2.3937	2.7083	2.4085	2.1535	1.0981	3.3907	3.8073	2.4342
C4	2.8010	2.3883	1.3935		1.3932	2.3832	1.3432	3.3879	2.1736	2.1585	3.3834	1.8999
C5	2.4081	2.7142	2.3937	1.3932		1.3859	2.3495	3.8136	3.4013	1.0944	2.1510	3.1651
C6	1.3349	2.2672	2.7083	2.3832	1.3859		3.6030	3.2530	3.8056	2.1741	1.0992	4.2827
O7	4.1434	3.6440	2.4085	1.3432	2.3495	3.6030		4.5523	2.7028	2.5865	4.4957	0.9800
H8	2.0688	1.0995	2.1535	3.3879	3.8136	3.2530	4.5523		2.4895	4.9076	4.1306	4.5443
H9	3.3855	2.1656	1.0981	2.1736	3.4013	3.8056	2.7028	2.4895		4.3161	4.9043	2.3007
H10	3.3947	3.8084	3.3907	2.1585	1.0944	2.1741	2.5865	4.9076	4.3161		2.5066	3.5429
H11	2.0686	3.2503	3.8073	3.3834	2.1510	1.0992	4.4957	4.1306	4.9043	2.5066		5.2618
H12	4.5774	3.8076	2.4342	1.8999	3.1651	4.2827	0.9800	4.5443	2.3007	3.5429	5.2618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.238	N1	C2	H8	116.312
N1	C6	C5	124.510	N1	C6	H11	116.049
C2	N1	C6	116.480	C2	C3	C4	118.296
C2	C3	H9	120.688	C3	C2	H8	119.451
C3	C4	C5	118.397	C3	C4	O7	123.293
C4	C3	H9	121.016	C4	C5	C6	118.081
C4	C5	H10	119.906	C4	O7	H12	108.723
C5	C4	O7	118.310	C5	C6	H11	119.441
C6	C5	H10	122.014

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	N	-0.355
2	C	-0.033
3	C	-0.201
4	C	0.311
5	C	-0.167
6	C	-0.038
7	O	-0.582
8	H	0.163
9	H	0.147
10	H	0.169
11	H	0.164
12	H	0.423

	x	y	z	Total
	-1.421	2.563	0.000	2.931
CHELPG
AIM
ESP

	x	y	z
x	10.634	-0.315	0.000
y	-0.315	11.046	0.000
z	0.000	0.000	3.384

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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