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	hartrees
Energy at 0K	-321.832771
Energy at 298.15K	-321.839300
Nuclear repulsion energy	275.538972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3709	3663	60.42
2	A'	3132	3093	0.73
3	A'	3091	3053	8.06
4	A'	3074	3036	13.67
5	A'	3068	3030	17.10
6	A'	1636	1616	114.66
7	A'	1620	1600	127.77
8	A'	1502	1483	42.93
9	A'	1435	1417	17.36
10	A'	1375	1358	31.06
11	A'	1320	1304	2.51
12	A'	1314	1298	53.20
13	A'	1203	1189	13.85
14	A'	1155	1141	141.74
15	A'	1066	1053	3.44
16	A'	1042	1030	1.26
17	A'	993	981	11.46
18	A'	847	836	39.58
19	A'	664	656	0.16
20	A'	517	510	0.96
21	A'	396	391	12.36
22	A"	957	945	0.02
23	A"	929	918	0.00
24	A"	819	809	16.72
25	A"	791	781	39.63
26	A"	734	725	0.52
27	A"	527	520	18.72
28	A"	438	433	113.44
29	A"	374	370	3.92
30	A"	219	216	0.42

Atom	x (Å)	y (Å)
N1	0.025	-1.862
C2	-1.112	-1.176
C3	-1.185	0.206
C4	0.000	0.932
C5	1.199	0.231
C6	1.150	-1.150
O7	0.044	2.271
H8	-2.037	-1.767
H9	-2.157	0.713
H10	2.146	0.775
H11	2.084	-1.725
H12	-0.867	2.617

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3277	2.3960	2.7938	2.3998	1.3312	4.1333	2.0641	3.3746	3.3846	2.0641	4.5672
C2	1.3277		1.3845	2.3835	2.7062	2.2620	3.6363	1.0972	2.1586	3.7983	3.2432	3.8018
C3	2.3960	1.3845		1.3895	2.3845	2.7001	2.4030	2.1491	1.0958	3.3797	3.7969	2.4322
C4	2.7938	2.3835	1.3895		1.3891	2.3782	1.3403	3.3811	2.1680	2.1521	3.3763	1.8955
C5	2.3998	2.7062	2.3845	1.3891		1.3818	2.3450	3.8033	3.3906	1.0924	2.1461	3.1567
C6	1.3312	2.2620	2.7001	2.3782	1.3818		3.5957	3.2459	3.7951	2.1680	1.0970	4.2732
O7	4.1333	3.6363	2.4030	1.3403	2.3450	3.5957		4.5426	2.6966	2.5806	4.4866	0.9739
H8	2.0641	1.0972	2.1491	3.3811	3.8033	3.2459	4.5426		2.4823	4.8952	4.1217	4.5377
H9	3.3746	2.1586	1.0958	2.1680	3.3906	3.7951	2.6966	2.4823		4.3037	4.8915	2.3007
H10	3.3846	3.7983	3.3797	2.1521	1.0924	2.1680	2.5806	4.8952	4.3037		2.5003	3.5316
H11	2.0641	3.2432	3.7969	3.3763	2.1461	1.0970	4.4866	4.1217	4.8915	2.5003		5.2497
H12	4.5672	3.8018	2.4322	1.8955	3.1567	4.2732	0.9739	4.5377	2.3007	3.5316	5.2497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.104	N1	C2	H8	116.364
N1	C6	C5	124.385	N1	C6	H11	116.110
C2	N1	C6	116.587	C2	C3	C4	118.459
C2	C3	H9	120.541	C3	C2	H8	119.532
C3	C4	C5	118.221	C3	C4	O7	123.342
C4	C3	H9	121.000	C4	C5	C6	118.244
C4	C5	H10	119.804	C4	O7	H12	108.953
C5	C4	O7	118.437	C5	C6	H11	119.505
C6	C5	H10	121.952

All results from a given calculation for C₅H₅NO (4-Pyridinol)

using model chemistry: LSDA/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	-0.281
2	C	0.019
3	C	-0.245
4	C	0.195
5	C	-0.210
6	C	0.019
7	O	-0.313
8	H	0.141
9	H	0.126
10	H	0.142
11	H	0.143
12	H	0.264

	x	y	z	Total
	-1.408	2.555	0.000	2.917
CHELPG
AIM
ESP

	x	y	z
x	11.075	-0.312	0.000
y	-0.312	11.482	0.000
z	0.000	0.000	4.282

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C5H5NO (4-Pyridinol)

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

States and conformations

All results from a given calculation for C₅H₅NO (4-Pyridinol)