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	hartrees
Energy at 0K	-321.846686
Energy at 298.15K	-321.853357
Nuclear repulsion energy	277.117386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3622	3585	74.97
2	A'	3138	3106	0.77
3	A'	3134	3102	3.69
4	A'	3110	3078	3.53
5	A'	3079	3047	13.08
6	A'	1644	1627	115.80
7	A'	1623	1606	78.59
8	A'	1493	1477	167.96
9	A'	1464	1449	4.05
10	A'	1393	1379	35.95
11	A'	1327	1313	37.50
12	A'	1303	1290	16.40
13	A'	1165	1153	162.18
14	A'	1122	1110	15.21
15	A'	1079	1068	24.44
16	A'	1045	1034	3.44
17	A'	989	979	8.11
18	A'	861	852	7.62
19	A'	623	617	2.59
20	A'	557	551	0.92
21	A'	410	406	19.97
22	A"	960	950	0.12
23	A"	938	928	0.66
24	A"	847	839	1.77
25	A"	777	769	56.09
26	A"	735	728	13.99
27	A"	605	598	68.37
28	A"	500	495	50.13
29	A"	410	406	0.45
30	A"	204	202	0.85

Atom	x (Å)	y (Å)
N1	-1.170	0.290
C2	0.000	0.903
C3	1.224	0.236
C4	1.195	-1.142
C5	-0.027	-1.805
C6	-1.179	-1.041
O7	-0.018	2.238
H8	2.154	0.808
H9	2.131	-1.707
H10	-0.085	-2.895
H11	-2.168	-1.515
H12	-0.971	2.468

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3216	2.3948	2.7643	2.3862	1.3308	2.2642	3.3644	3.8580	3.3649	2.0619	2.1875
C2	1.3216		1.3939	2.3682	2.7085	2.2739	1.3352	2.1559	3.3694	3.7996	3.2476	1.8415
C3	2.3948	1.3939		1.3779	2.3941	2.7210	2.3560	1.0918	2.1441	3.3937	3.8168	3.1304
C4	2.7643	2.3682	1.3779		1.3905	2.3754	3.5908	2.1728	1.0937	2.1707	3.3828	4.2094
C5	2.3862	2.7085	2.3941	1.3905		1.3816	4.0435	3.4039	2.1607	1.0917	2.1596	4.3760
C6	1.3308	2.2739	2.7210	2.3754	1.3816		3.4791	3.8113	3.3759	2.1528	1.0965	3.5153
O7	2.2642	1.3352	2.3560	3.5908	4.0435	3.4791		2.6003	4.4923	5.1341	4.3256	0.9807
H8	3.3644	2.1559	1.0918	2.1728	3.4039	3.8113	2.6003		2.5148	4.3273	4.9062	3.5384
H9	3.8580	3.3694	2.1441	1.0937	2.1607	3.3759	4.4923	2.5148		2.5143	4.3027	5.2010
H10	3.3649	3.7996	3.3937	2.1707	1.0917	2.1528	5.1341	4.3273	2.5143		2.4986	5.4360
H11	2.0619	3.2476	3.8168	3.3828	2.1596	1.0965	4.3256	4.9062	4.3027	2.4986		4.1589
H12	2.1875	1.8415	3.1304	4.2094	4.3760	3.5153	0.9807	3.5384	5.2010	5.4360	4.1589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.727	N1	C2	O7	116.914
N1	C6	C5	123.203	N1	C6	H11	115.970
C2	N1	C6	118.032	C2	C3	C4	117.385
C2	C3	H8	119.806	C2	O7	H12	104.294
C3	C2	O7	119.360	C3	C4	C5	119.717
C3	C4	H9	119.896	C4	C3	H8	122.809
C4	C5	C6	117.937	C4	C5	H10	121.502
C5	C4	H9	120.387	C5	C6	H11	120.827
C6	C5	H10	120.561

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

using model chemistry: SVWN/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	-0.349
2	C	0.304
3	C	-0.200
4	C	-0.041
5	C	-0.226
6	C	0.020
7	O	-0.313
8	H	0.142
9	H	0.136
10	H	0.131
11	H	0.145
12	H	0.252

	x	y	z	Total
	0.372	-1.012	0.000	1.078
CHELPG
AIM
ESP

	x	y	z
x	10.431	0.004	0.000
y	0.004	12.323	0.000
z	0.000	0.000	4.258

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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