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	hartrees
Energy at 0K	-321.689026
Energy at 298.15K	-321.696140
HF Energy	-321.689026
Nuclear repulsion energy	278.816781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4122	3729	135.24
2	A'	3367	3046	1.71
3	A'	3359	3039	14.80
4	A'	3329	3012	16.39
5	A'	3322	3005	8.21
6	A'	1795	1624	127.50
7	A'	1773	1604	176.44
8	A'	1644	1487	146.34
9	A'	1606	1453	78.26
10	A'	1476	1335	13.06
11	A'	1438	1301	87.32
12	A'	1331	1204	108.78
13	A'	1292	1169	73.18
14	A'	1199	1085	5.82
15	A'	1172	1060	65.72
16	A'	1130	1023	5.96
17	A'	1078	975	15.24
18	A'	922	834	8.84
19	A'	686	621	2.94
20	A'	610	552	1.05
21	A'	458	415	18.04
22	A"	1131	1023	0.51
23	A"	1112	1006	0.52
24	A"	971	879	6.67
25	A"	879	795	70.99
26	A"	836	756	11.93
27	A"	597	540	1.55
28	A"	511	462	130.12
29	A"	463	419	0.57
30	A"	244	220	1.47

Atom	x (Å)	y (Å)
N1	-1.161	0.303
C2	0.000	0.895
C3	1.218	0.217
C4	1.174	-1.151
C5	-0.056	-1.802
C6	-1.185	-1.023
O7	0.020	2.227
H8	2.137	0.766
H9	2.086	-1.716
H10	-0.127	-2.870
H11	-2.159	-1.474
H12	-0.870	2.540

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3036	2.3805	2.7504	2.3771	1.3263	2.2577	3.3306	3.8240	3.3377	2.0380	2.2564
C2	1.3036		1.3937	2.3586	2.6974	2.2547	1.3321	2.1409	3.3423	3.7677	3.2056	1.8613
C3	2.3805	1.3937		1.3687	2.3873	2.7038	2.3397	1.0706	2.1195	3.3677	3.7770	3.1236
C4	2.7504	2.3586	1.3687		1.3914	2.3618	3.5694	2.1453	1.0736	2.1560	3.3488	4.2193
C5	2.3771	2.6974	2.3873	1.3914		1.3710	4.0295	3.3769	2.1442	1.0711	2.1287	4.4178
C6	1.3263	2.2547	2.7038	2.3618	1.3710		3.4663	3.7730	3.3436	2.1287	1.0739	3.5775
O7	2.2577	1.3321	2.3397	3.5694	4.0295	3.4663		2.5723	4.4518	5.0996	4.2949	0.9437
H8	3.3306	2.1409	1.0706	2.1453	3.3769	3.7730	2.5723		2.4826	4.2835	4.8453	3.4917
H9	3.8240	3.3423	2.1195	1.0736	2.1442	3.3436	4.4518	2.4826		2.4961	4.2527	5.1826
H10	3.3377	3.7677	3.3677	2.1560	1.0711	2.1287	5.0996	4.2835	2.4961		2.4662	5.4617
H11	2.0380	3.2056	3.7770	3.3488	2.1287	1.0739	4.2949	4.8453	4.2527	2.4662		4.2163
H12	2.2564	1.8613	3.1236	4.2193	4.4178	3.5775	0.9437	3.4917	5.1826	5.4617	4.2163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.874	N1	C2	O7	117.875
N1	C6	C5	123.584	N1	C6	H11	115.826
C2	N1	C6	118.037	C2	C3	C4	117.257
C2	C3	H8	120.059	C2	O7	H12	108.545
C3	C2	O7	118.251	C3	C4	C5	119.739
C3	C4	H9	119.926	C4	C3	H8	122.684
C4	C5	C6	117.509	C4	C5	H10	121.673
C5	C4	H9	120.335	C5	C6	H11	120.590
C6	C5	H10	120.818

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

using model chemistry: HF/daug-cc-pVTZ

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	-1.176
2	C	0.240
3	C	0.058
4	C	-0.228
5	C	0.058
6	C	-0.752
7	O	-1.218
8	H	0.838
9	H	0.689
10	H	0.528
11	H	0.834
12	H	0.130

	x	y	z	Total
	0.516	-1.249	0.000	1.352
CHELPG
AIM
ESP

	x	y	z
x	10.739	0.086	0.000
y	0.086	11.907	0.000
z	0.000	0.000	6.215

<r²>	173.487
(<r²>)^1/2	13.171

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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