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	hartrees
Energy at 0K	-321.768803
Energy at 298.15K	-321.775283
Nuclear repulsion energy	274.619113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3710	3655	58.19
2	A'	3149	3102	0.91
3	A'	3110	3063	9.19
4	A'	3097	3050	14.88
5	A'	3090	3044	14.53
6	A'	1641	1617	104.39
7	A'	1628	1604	158.18
8	A'	1506	1484	47.29
9	A'	1439	1417	9.95
10	A'	1392	1371	24.88
11	A'	1319	1299	1.43
12	A'	1315	1296	65.94
13	A'	1207	1189	17.22
14	A'	1140	1123	137.11
15	A'	1071	1055	3.68
16	A'	1046	1030	1.99
17	A'	993	978	8.34
18	A'	845	832	37.52
19	A'	662	652	0.13
20	A'	513	505	0.68
21	A'	396	390	13.26
22	A"	955	941	0.05
23	A"	928	914	0.02
24	A"	820	807	14.93
25	A"	793	781	38.31
26	A"	725	714	0.31
27	A"	524	516	20.19
28	A"	424	417	116.45
29	A"	375	369	5.53
30	A"	217	214	0.49

Atom	x (Å)	y (Å)
N1	0.023	-1.868
C2	-1.118	-1.179
C3	-1.191	0.209
C4	0.000	0.932
C5	1.204	0.232
C6	1.153	-1.155
O7	0.047	2.277
H8	-2.044	-1.771
H9	-2.164	0.716
H10	2.154	0.775
H11	2.088	-1.731
H12	-0.861	2.640

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3326	2.4054	2.7998	2.4087	1.3358	4.1450	2.0692	3.3856	3.3947	2.0691	4.5938
C2	1.3326		1.3899	2.3889	2.7169	2.2707	3.6474	1.0987	2.1653	3.8111	3.2528	3.8282
C3	2.4054	1.3899		1.3934	2.3950	2.7114	2.4106	2.1553	1.0976	3.3927	3.8096	2.4539
C4	2.7998	2.3889	1.3934		1.3927	2.3839	1.3460	3.3884	2.1749	2.1599	3.3839	1.9127
C5	2.4087	2.7169	2.3950	1.3927		1.3874	2.3500	3.8154	3.4028	1.0945	2.1527	3.1721
C6	1.3358	2.2707	2.7114	2.3839	1.3874		3.6056	3.2553	3.8083	2.1739	1.0984	4.2958
O7	4.1450	3.6474	2.4106	1.3460	2.3500	3.6056		4.5559	2.7064	2.5880	4.4979	0.9772
H8	2.0692	1.0987	2.1553	3.3884	3.8154	3.2553	4.5559		2.4900	4.9094	4.1318	4.5669
H9	3.3856	2.1653	1.0976	2.1749	3.4028	3.8083	2.7064	2.4900		4.3187	4.9060	2.3240
H10	3.3947	3.8111	3.3927	2.1599	1.0945	2.1739	2.5880	4.9094	4.3187		2.5068	3.5451
H11	2.0691	3.2528	3.8096	3.3839	2.1527	1.0984	4.4979	4.1318	4.9060	2.5068		5.2726
H12	4.5938	3.8282	2.4539	1.9127	3.1721	4.2958	0.9772	4.5669	2.3240	3.5451	5.2726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.123	N1	C2	H8	116.329
N1	C6	C5	124.376	N1	C6	H11	116.087
C2	N1	C6	116.632	C2	C3	C4	118.252
C2	C3	H9	120.569	C3	C2	H8	119.548
C3	C4	C5	118.549	C3	C4	O7	123.264
C4	C3	H9	121.179	C4	C5	C6	118.068
C4	C5	H10	120.071	C4	O7	H12	109.815
C5	C4	O7	118.187	C5	C6	H11	119.537
C6	C5	H10	121.860

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	N	-0.110
2	C	-0.461
3	C	0.456
4	C	-0.499
5	C	0.533
6	C	-0.435
7	O	-0.476
8	H	0.157
9	H	0.143
10	H	0.170
11	H	0.159
12	H	0.364

	x	y	z	Total
	-1.449	2.559	0.000	2.941
CHELPG
AIM
ESP

	x	y	z
x	11.772	-0.269	0.000
y	-0.269	12.731	0.000
z	0.000	0.000	5.823

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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