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	hartrees
Energy at 0K	-323.472384
Energy at 298.15K	-323.479142
Nuclear repulsion energy	276.917505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3804	3652	80.49
2	A'	3230	3101	1.90
3	A'	3223	3094	12.68
4	A'	3196	3068	8.72
5	A'	3174	3047	17.48
6	A'	1675	1608	90.75
7	A'	1652	1587	102.88
8	A'	1523	1462	163.98
9	A'	1499	1439	22.75
10	A'	1373	1318	65.73
11	A'	1344	1290	35.54
12	A'	1336	1283	9.74
13	A'	1206	1158	158.67
14	A'	1161	1114	25.31
15	A'	1111	1067	21.76
16	A'	1068	1025	3.08
17	A'	1008	967	7.55
18	A'	868	834	11.38
19	A'	632	607	2.76
20	A'	564	542	0.66
21	A'	416	400	17.38
22	A"	999	959	0.04
23	A"	979	940	0.54
24	A"	878	843	1.14
25	A"	795	763	63.42
26	A"	755	725	4.22
27	A"	572	549	44.69
28	A"	505	484	78.21
29	A"	418	402	0.22
30	A"	215	206	0.75

Atom	x (Å)	y (Å)
N1	-1.174	0.296
C2	0.000	0.900
C3	1.224	0.228
C4	1.190	-1.150
C5	-0.037	-1.809
C6	-1.184	-1.038
O7	-0.001	2.244
H8	2.147	0.791
H9	2.116	-1.713
H10	-0.098	-2.889
H11	-2.165	-1.502
H12	-0.930	2.503

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3206	2.3995	2.7722	2.3930	1.3344	2.2739	3.3581	3.8554	3.3620	2.0530	2.2202
C2	1.3206		1.3962	2.3709	2.7095	2.2712	1.3438	2.1498	3.3624	3.7900	3.2337	1.8533
C3	2.3995	1.3962		1.3790	2.3962	2.7207	2.3586	1.0808	2.1366	3.3857	3.8050	3.1329
C4	2.7722	2.3709	1.3790		1.3932	2.3771	3.5971	2.1638	1.0832	2.1636	3.3735	4.2242
C5	2.3930	2.7095	2.3962	1.3932		1.3821	4.0532	3.3955	2.1550	1.0811	2.1497	4.4038
C6	1.3344	2.2712	2.7207	2.3771	1.3821		3.4887	3.8000	3.3682	2.1458	1.0850	3.5502
O7	2.2739	1.3438	2.3586	3.5971	4.0532	3.4887		2.5933	4.4877	5.1334	4.3261	0.9648
H8	3.3581	2.1498	1.0808	2.1638	3.3955	3.8000	2.5933		2.5041	4.3100	4.8834	3.5216
H9	3.8554	3.3624	2.1366	1.0832	2.1550	3.3682	4.4877	2.5041		2.5063	4.2857	5.2015
H10	3.3620	3.7900	3.3857	2.1636	1.0811	2.1458	5.1334	4.3100	2.5063		2.4889	5.4556
H11	2.0530	3.2337	3.8050	3.3735	2.1497	1.0850	4.3261	4.8834	4.2857	2.4889		4.1911
H12	2.2202	1.8533	3.1329	4.2242	4.4038	3.5502	0.9648	3.5216	5.2015	5.4556	4.1911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.035	N1	C2	O7	117.170
N1	C6	C5	123.505	N1	C6	H11	115.736
C2	N1	C6	117.618	C2	C3	C4	117.361
C2	C3	H8	119.893	C2	O7	H12	105.619
C3	C2	O7	118.796	C3	C4	C5	119.624
C3	C4	H9	119.919	C4	C3	H8	122.746
C4	C5	C6	117.858	C4	C5	H10	121.445
C5	C4	H9	120.458	C5	C6	H11	120.759
C6	C5	H10	120.697

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

using model chemistry: B1B95/6-311G**

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	-0.387
2	C	0.369
3	C	-0.200
4	C	-0.004
5	C	-0.221
6	C	0.067
7	O	-0.353
8	H	0.123
9	H	0.118
10	H	0.111
11	H	0.125
12	H	0.252

	x	y	z	Total
	0.391	-1.121	0.000	1.187
CHELPG
AIM
ESP

	x	y	z
x	10.176	0.041	0.000
y	0.041	11.821	0.000
z	0.000	0.000	4.204

<r²>	174.843
(<r²>)^1/2	13.223

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

using model chemistry: B1B95/6-311G**

States and conformations

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