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	hartrees
Energy at 0K	-321.668910
Energy at 298.15K	-321.675907
Nuclear repulsion energy	277.398363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4186	3803	110.01
2	A'	3360	3053	3.99
3	A'	3329	3025	13.98
4	A'	3316	3013	22.75
5	A'	3308	3005	14.68
6	A'	1786	1623	148.75
7	A'	1774	1611	179.49
8	A'	1666	1513	78.17
9	A'	1575	1431	35.21
10	A'	1496	1359	28.93
11	A'	1414	1285	84.57
12	A'	1337	1215	129.15
13	A'	1333	1212	2.35
14	A'	1203	1093	37.30
15	A'	1170	1063	1.42
16	A'	1157	1051	0.16
17	A'	1083	984	21.42
18	A'	909	826	44.02
19	A'	729	662	0.01
20	A'	567	515	0.15
21	A'	445	404	11.04
22	A"	1133	1029	0.05
23	A"	1090	991	0.65
24	A"	938	853	27.64
25	A"	915	831	42.50
26	A"	817	742	0.02
27	A"	596	541	25.22
28	A"	443	402	0.39
29	A"	388	353	120.01
30	A"	251	228	0.13

Atom	x (Å)	y (Å)
N1	0.021	-1.848
C2	-1.106	-1.171
C3	-1.183	0.208
C4	0.000	0.924
C5	1.196	0.227
C6	1.140	-1.148
O7	0.044	2.259
H8	-2.011	-1.750
H9	-2.137	0.701
H10	2.131	0.751
H11	2.054	-1.714
H12	-0.818	2.634

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3146	2.3828	2.7722	2.3854	1.3206	4.1078	2.0348	3.3401	3.3480	2.0372	4.5600
C2	1.3146		1.3809	2.3684	2.6931	2.2460	3.6175	1.0751	2.1372	3.7640	3.2057	3.8153
C3	2.3828	1.3809		1.3826	2.3792	2.6897	2.3901	2.1258	1.0739	3.3579	3.7643	2.4530
C4	2.7722	2.3684	1.3826		1.3840	2.3644	1.3364	3.3457	2.1484	2.1377	3.3429	1.8958
C5	2.3854	2.6931	2.3792	1.3840		1.3762	2.3360	3.7681	3.3665	1.0714	2.1224	3.1383
C6	1.3206	2.2460	2.6897	2.3644	1.3762		3.5791	3.2087	3.7626	2.1416	1.0748	4.2585
O7	4.1078	3.6175	2.3901	1.3364	2.3360	3.5791		4.5052	2.6800	2.5750	4.4529	0.9398
H8	2.0348	1.0751	2.1258	3.3457	3.7681	3.2087	4.5052		2.4542	4.8387	4.0653	4.5429
H9	3.3401	2.1372	1.0739	2.1484	3.3665	3.7626	2.6800	2.4542		4.2679	4.8367	2.3394
H10	3.3480	3.7640	3.3579	2.1377	1.0714	2.1416	2.5750	4.8387	4.2679		2.4664	3.4988
H11	2.0372	3.2057	3.7643	3.3429	2.1224	1.0748	4.4529	4.0653	4.8367	2.4664		5.2108
H12	4.5600	3.8153	2.4530	1.8958	3.1383	4.2585	0.9398	4.5429	2.3394	3.4988	5.2108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.238	N1	C2	H8	116.386
N1	C6	C5	124.377	N1	C6	H11	116.150
C2	N1	C6	116.924	C2	C3	C4	117.966
C2	C3	H9	120.555	C3	C2	H8	119.375
C3	C4	C5	118.620	C3	C4	O7	123.048
C4	C3	H9	121.479	C4	C5	C6	117.875
C4	C5	H10	120.529	C4	O7	H12	111.603
C5	C4	O7	118.333	C5	C6	H11	119.473
C6	C5	H10	121.596

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

using model chemistry: HF/6-311+G(3df,2p)

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	-1.289
2	C	0.164
3	C	0.181
4	C	0.698
5	C	0.161
6	C	0.170
7	O	-0.817
8	H	0.126
9	H	0.107
10	H	0.129
11	H	0.126
12	H	0.244

	x	y	z	Total
	-1.386	2.264	0.000	2.654
CHELPG
AIM
ESP

	x	y	z
x	10.929	-0.165	0.000
y	-0.165	11.336	0.000
z	0.000	0.000	6.132

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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