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	hartrees
Energy at 0K	-323.398812
Energy at 298.15K	-323.405439
HF Energy	-323.398812
Nuclear repulsion energy	274.658549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3681	3629	54.25
2	A'	3156	3111	6.39
3	A'	3148	3103	23.63
4	A'	3125	3080	11.00
5	A'	3099	3055	23.82
6	A'	1610	1587	72.36
7	A'	1584	1562	82.71
8	A'	1474	1453	112.47
9	A'	1458	1437	39.18
10	A'	1348	1328	56.65
11	A'	1306	1288	24.39
12	A'	1294	1276	47.35
13	A'	1183	1166	148.64
14	A'	1146	1130	20.57
15	A'	1085	1069	21.27
16	A'	1040	1025	3.23
17	A'	982	968	7.67
18	A'	844	832	12.92
19	A'	629	620	2.46
20	A'	556	548	0.61
21	A'	412	406	16.20
22	A"	960	947	0.07
23	A"	938	924	0.55
24	A"	845	833	0.74
25	A"	765	754	56.78
26	A"	730	719	3.73
27	A"	565	557	52.94
28	A"	493	486	61.84
29	A"	408	402	0.37
30	A"	204	201	0.80

Atom	x (Å)	y (Å)
N1	-1.187	0.298
C2	0.000	0.907
C3	1.234	0.231
C4	1.201	-1.159
C5	-0.036	-1.823
C6	-1.193	-1.048
O7	-0.000	2.264
H8	2.163	0.793
H9	2.131	-1.724
H10	-0.096	-2.908
H11	-2.179	-1.515
H12	-0.939	2.515

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3339	2.4214	2.7973	2.4135	1.3461	2.2964	3.3858	3.8855	3.3865	2.0666	2.2306
C2	1.3339		1.4067	2.3895	2.7300	2.2902	1.3575	2.1655	3.3856	3.8159	3.2575	1.8623
C3	2.4214	1.4067		1.3902	2.4143	2.7433	2.3787	1.0860	2.1510	3.4088	3.8329	3.1525
C4	2.7973	2.3895	1.3902		1.4034	2.3969	3.6280	2.1763	1.0882	2.1774	3.3983	4.2518
C5	2.4135	2.7300	2.4143	1.4034		1.3934	4.0875	3.4171	2.1686	1.0866	2.1652	4.4311
C6	1.3461	2.2902	2.7433	2.3969	1.3934		3.5205	3.8279	3.3923	2.1595	1.0904	3.5719
O7	2.2964	1.3575	2.3787	3.6280	4.0875	3.5205		2.6158	4.5222	5.1731	4.3620	0.9716
H8	3.3858	2.1655	1.0860	2.1763	3.4171	3.8279	2.6158		2.5177	4.3361	4.9167	3.5474
H9	3.8855	3.3856	2.1510	1.0882	2.1686	3.3923	4.5222	2.5177		2.5221	4.3146	5.2340
H10	3.3865	3.8159	3.4088	2.1774	1.0866	2.1595	5.1731	4.3361	2.5221		2.5055	5.4880
H11	2.0666	3.2575	3.8329	3.3983	2.1652	1.0904	4.3620	4.9167	4.3146	2.5055		4.2161
H12	2.2306	1.8623	3.1525	4.2518	4.4311	3.5719	0.9716	3.5474	5.2340	5.4880	4.2161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.186	N1	C2	O7	117.133
N1	C6	C5	123.522	N1	C6	H11	115.573
C2	N1	C6	117.365	C2	C3	C4	117.394
C2	C3	H8	120.057	C2	O7	H12	104.873
C3	C2	O7	118.681	C3	C4	C5	119.521
C3	C4	H9	119.981	C4	C3	H8	122.549
C4	C5	C6	118.013	C4	C5	H10	121.414
C5	C4	H9	120.498	C5	C6	H11	120.905
C6	C5	H10	120.573

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

using model chemistry: B97D3/6-311G**

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	-0.363
2	C	0.352
3	C	-0.171
4	C	0.003
5	C	-0.186
6	C	0.062
7	O	-0.339
8	H	0.101
9	H	0.098
10	H	0.091
11	H	0.108
12	H	0.243

	x	y	z	Total
	0.398	-1.045	0.000	1.118
CHELPG
AIM
ESP

	x	y	z
x	10.559	0.016	0.000
y	0.016	12.434	0.000
z	0.000	0.000	4.267

<r²>	177.417
(<r²>)^1/2	13.320

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

using model chemistry: B97D3/6-311G**

States and conformations

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