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	hartrees
Energy at 0K	-323.515885
Energy at 298.15K	-323.522610
Nuclear repulsion energy	275.218359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3692	3546	62.06
2	A'	3230	3102	3.51
3	A'	3221	3093	17.70
4	A'	3197	3070	11.70
5	A'	3179	3053	19.93
6	A'	1668	1602	84.71
7	A'	1644	1579	86.23
8	A'	1530	1470	130.33
9	A'	1506	1446	37.42
10	A'	1386	1331	46.09
11	A'	1345	1292	70.65
12	A'	1332	1279	5.15
13	A'	1217	1169	152.58
14	A'	1177	1130	22.53
15	A'	1116	1072	23.37
16	A'	1070	1028	2.83
17	A'	1008	968	7.70
18	A'	866	832	10.86
19	A'	640	615	2.81
20	A'	567	545	0.65
21	A'	420	403	16.61
22	A"	996	956	0.00
23	A"	971	932	0.32
24	A"	878	843	1.61
25	A"	790	758	54.45
26	A"	754	724	0.01
27	A"	573	550	56.06
28	A"	506	486	69.09
29	A"	424	407	0.25
30	A"	219	210	0.71

Atom	x (Å)	y (Å)
N1	-1.184	0.298
C2	0.000	0.904
C3	1.230	0.229
C4	1.197	-1.158
C5	-0.038	-1.820
C6	-1.192	-1.045
O7	0.004	2.259
H8	2.158	0.791
H9	2.125	-1.724
H10	-0.100	-2.903
H11	-2.176	-1.510
H12	-0.934	2.524

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3301	2.4155	2.7906	2.4082	1.3430	2.2922	3.3777	3.8774	3.3801	2.0623	2.2395
C2	1.3301		1.4037	2.3842	2.7245	2.2845	1.3543	2.1605	3.3793	3.8088	3.2500	1.8695
C3	2.4155	1.4037		1.3871	2.4097	2.7367	2.3715	1.0843	2.1474	3.4028	3.8244	3.1546
C4	2.7906	2.3842	1.3871		1.4011	2.3912	3.6186	2.1730	1.0868	2.1741	3.3908	4.2537
C5	2.4082	2.7245	2.4097	1.4011		1.3899	4.0787	3.4116	2.1649	1.0850	2.1600	4.4351
C6	1.3430	2.2845	2.7367	2.3912	1.3899		3.5131	3.8196	3.3852	2.1556	1.0884	3.5778
O7	2.2922	1.3543	2.3715	3.6186	4.0787	3.5131		2.6059	4.5116	5.1628	4.3536	0.9748
H8	3.3777	2.1605	1.0843	2.1730	3.4116	3.8196	2.6059		2.5151	4.3294	4.9065	3.5439
H9	3.8774	3.3793	2.1474	1.0868	2.1649	3.3852	4.5116	2.5151		2.5177	4.3057	5.2340
H10	3.3801	3.8088	3.4028	2.1741	1.0850	2.1556	5.1628	4.3294	2.5177		2.5003	5.4907
H11	2.0623	3.2500	3.8244	3.3908	2.1600	1.0884	4.3536	4.9065	4.3057	2.5003		4.2205
H12	2.2395	1.8695	3.1546	4.2537	4.4351	3.5778	0.9748	3.5439	5.2340	5.4907	4.2205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.129	N1	C2	O7	117.278
N1	C6	C5	123.563	N1	C6	H11	115.637
C2	N1	C6	117.442	C2	C3	C4	117.367
C2	C3	H8	119.995	C2	O7	H12	105.612
C3	C2	O7	118.593	C3	C4	C5	119.596
C3	C4	H9	119.977	C4	C3	H8	122.638
C4	C5	C6	117.903	C4	C5	H10	121.450
C5	C4	H9	120.428	C5	C6	H11	120.800
C6	C5	H10	120.647

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

using model chemistry: B3LYP/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	-0.500
2	C	0.517
3	C	-0.167
4	C	-0.104
5	C	-0.151
6	C	0.040
7	O	-0.617
8	H	0.148
9	H	0.145
10	H	0.135
11	H	0.144
12	H	0.411

	x	y	z	Total
	0.379	-1.131	0.000	1.193
CHELPG
AIM
ESP

	x	y	z
x	9.848	0.051	0.000
y	0.051	11.499	0.000
z	0.000	0.000	3.311

<r²>	176.525
(<r²>)^1/2	13.286

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

using model chemistry: B3LYP/6-31G*

States and conformations

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