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	hartrees
Energy at 0K	-323.427812
Energy at 298.15K	-323.434435
HF Energy	-323.427812
Nuclear repulsion energy	275.157901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3692	3644	57.66
2	A'	3151	3110	5.00
3	A'	3145	3104	18.84
4	A'	3121	3080	8.57
5	A'	3097	3057	19.18
6	A'	1604	1583	72.95
7	A'	1580	1560	85.17
8	A'	1473	1454	90.38
9	A'	1455	1436	60.94
10	A'	1345	1328	34.59
11	A'	1303	1286	23.07
12	A'	1289	1272	66.51
13	A'	1176	1160	138.10
14	A'	1148	1133	25.43
15	A'	1085	1071	23.23
16	A'	1041	1028	3.24
17	A'	984	971	6.55
18	A'	843	832	13.83
19	A'	630	621	2.36
20	A'	556	549	0.71
21	A'	413	407	15.73
22	A"	976	964	0.01
23	A"	948	935	0.53
24	A"	854	842	1.19
25	A"	771	761	49.73
26	A"	733	723	9.09
27	A"	549	542	32.36
28	A"	486	480	72.49
29	A"	408	403	0.47
30	A"	203	200	0.90

Atom	x (Å)	y (Å)
N1	-1.183	0.296
C2	0.000	0.904
C3	1.230	0.229
C4	1.196	-1.158
C5	-0.037	-1.820
C6	-1.193	-1.047
O7	0.003	2.262
H8	2.159	0.788
H9	2.124	-1.722
H10	-0.098	-2.903
H11	-2.176	-1.513
H12	-0.930	2.528

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3302	2.4137	2.7882	2.4061	1.3430	2.2956	3.3780	3.8746	3.3778	2.0641	2.2464
C2	1.3302		1.4030	2.3841	2.7245	2.2871	1.3571	2.1622	3.3783	3.8086	3.2529	1.8710
C3	2.4137	1.4030		1.3874	2.4093	2.7383	2.3738	1.0843	2.1468	3.4021	3.8261	3.1541
C4	2.7882	2.3841	1.3874		1.4000	2.3917	3.6215	2.1710	1.0864	2.1728	3.3913	4.2550
C5	2.4061	2.7245	2.4093	1.4000		1.3902	4.0816	3.4096	2.1639	1.0847	2.1610	4.4386
C6	1.3430	2.2871	2.7383	2.3917	1.3902		3.5180	3.8213	3.3853	2.1547	1.0885	3.5847
O7	2.2956	1.3571	2.3738	3.6215	4.0816	3.5180		2.6114	4.5134	5.1654	4.3588	0.9701
H8	3.3780	2.1622	1.0843	2.1710	3.4096	3.8213	2.6114		2.5106	4.3265	4.9084	3.5451
H9	3.8746	3.3783	2.1468	1.0864	2.1639	3.3853	4.5134	2.5106		2.5168	4.3059	5.2339
H10	3.3778	3.8086	3.4021	2.1728	1.0847	2.1547	5.1654	4.3265	2.5168		2.5000	5.4943
H11	2.0641	3.2529	3.8261	3.3913	2.1610	1.0885	4.3588	4.9084	4.3059	2.5000		4.2292
H12	2.2464	1.8710	3.1541	4.2550	4.4386	3.5847	0.9701	3.5451	5.2339	5.4943	4.2292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.121	N1	C2	O7	117.215
N1	C6	C5	123.398	N1	C6	H11	115.680
C2	N1	C6	117.481	C2	C3	C4	117.402
C2	C3	H8	120.137	C2	O7	H12	105.784
C3	C2	O7	118.663	C3	C4	C5	119.534
C3	C4	H9	119.973	C4	C3	H8	122.461
C4	C5	C6	118.064	C4	C5	H10	121.412
C5	C4	H9	120.493	C5	C6	H11	120.923
C6	C5	H10	120.523

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

using model chemistry: B97D3/6-311+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	-1.068
2	C	0.767
3	C	-0.016
4	C	0.286
5	C	-0.071
6	C	0.078
7	O	-0.646
8	H	0.105
9	H	0.101
10	H	0.101
11	H	0.107
12	H	0.258

	x	y	z	Total
	0.531	-1.134	0.000	1.252
CHELPG
AIM
ESP

	x	y	z
x	11.725	-0.009	0.000
y	-0.009	13.635	0.000
z	0.000	0.000	6.472

<r²>	177.288
(<r²>)^1/2	13.315

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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