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	hartrees
Energy at 0K	-323.555238
Energy at 298.15K	-323.561915
HF Energy	-323.555238
Nuclear repulsion energy	274.814594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3724	3584	67.41
2	A'	3229	3108	3.61
3	A'	3220	3099	18.12
4	A'	3196	3076	10.59
5	A'	3181	3062	14.98
6	A'	1651	1589	84.81
7	A'	1628	1567	92.37
8	A'	1511	1455	117.18
9	A'	1488	1433	56.49
10	A'	1372	1321	32.88
11	A'	1336	1286	21.36
12	A'	1322	1272	60.74
13	A'	1195	1150	138.07
14	A'	1169	1125	35.31
15	A'	1106	1065	29.00
16	A'	1062	1022	3.48
17	A'	1000	963	6.45
18	A'	856	824	13.74
19	A'	628	605	2.38
20	A'	557	536	0.42
21	A'	409	394	17.71
22	A"	997	959	0.00
23	A"	970	933	0.61
24	A"	876	843	1.01
25	A"	786	756	67.67
26	A"	744	716	1.98
27	A"	557	536	40.66
28	A"	496	477	87.34
29	A"	415	400	0.50
30	A"	211	203	0.98

Atom	x (Å)	y (Å)
N1	-1.182	0.300
C2	0.000	0.908
C3	1.234	0.226
C4	1.195	-1.162
C5	-0.046	-1.825
C6	-1.200	-1.046
O7	0.013	2.262
H8	2.163	0.786
H9	2.121	-1.731
H10	-0.108	-2.908
H11	-2.186	-1.507
H12	-0.912	2.559

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3294	2.4168	2.7909	2.4097	1.3463	2.2976	3.3798	3.8775	3.3829	2.0669	2.2752
C2	1.3294		1.4095	2.3908	2.7338	2.2937	1.3541	2.1661	3.3858	3.8177	3.2575	1.8860
C3	2.4168	1.4095		1.3894	2.4179	2.7466	2.3738	1.0843	2.1490	3.4096	3.8338	3.1693
C4	2.7909	2.3908	1.3894		1.4068	2.3982	3.6230	2.1751	1.0866	2.1784	3.3986	4.2765
C5	2.4097	2.7338	2.4179	1.4068		1.3926	4.0879	3.4196	2.1691	1.0846	2.1638	4.4689
C6	1.3463	2.2937	2.7466	2.3982	1.3926		3.5240	3.8295	3.3913	2.1584	1.0880	3.6168
O7	2.2976	1.3541	2.3738	3.6230	4.0879	3.5240		2.6081	4.5155	5.1717	4.3636	0.9713
H8	3.3798	2.1661	1.0843	2.1751	3.4196	3.8295	2.6081		2.5166	4.3358	4.9159	3.5494
H9	3.8775	3.3858	2.1490	1.0866	2.1691	3.3913	4.5155	2.5166		2.5211	4.3131	5.2538
H10	3.3829	3.8177	3.4096	2.1784	1.0846	2.1584	5.1717	4.3358	2.5211		2.5062	5.5257
H11	2.0669	3.2575	3.8338	3.3986	2.1638	1.0880	4.3636	4.9159	4.3131	2.5062		4.2607
H12	2.2752	1.8860	3.1693	4.2765	4.4689	3.6168	0.9713	3.5494	5.2538	5.5257	4.2607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.840	N1	C2	O7	117.776
N1	C6	C5	123.231	N1	C6	H11	115.811
C2	N1	C6	118.006	C2	C3	C4	117.338
C2	C3	H8	120.031	C2	O7	H12	107.240
C3	C2	O7	118.383	C3	C4	C5	119.695
C3	C4	H9	119.945	C4	C3	H8	122.631
C4	C5	C6	117.889	C4	C5	H10	121.397
C5	C4	H9	120.361	C5	C6	H11	120.958
C6	C5	H10	120.714

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

using model chemistry: TPSSh/6-31+G**

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	-0.249
2	C	0.017
3	C	0.286
4	C	-0.358
5	C	0.039
6	C	-0.274
7	O	-0.460
8	H	0.167
9	H	0.160
10	H	0.156
11	H	0.148
12	H	0.368

	x	y	z	Total
	0.505	-1.345	0.000	1.436
CHELPG
AIM
ESP

	x	y	z
x	11.121	-0.020	0.000
y	-0.020	12.895	0.000
z	0.000	0.000	5.734

<r²>	177.577
(<r²>)^1/2	13.326

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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