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	hartrees
Energy at 0K	-321.753048
Energy at 298.15K	-321.759557
Nuclear repulsion energy	274.858241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3708	3639	46.78
2	A'	3153	3094	0.83
3	A'	3109	3051	8.39
4	A'	3091	3033	17.46
5	A'	3085	3027	19.52
6	A'	1652	1621	121.77
7	A'	1635	1605	112.85
8	A'	1518	1490	39.29
9	A'	1448	1421	12.74
10	A'	1397	1371	33.24
11	A'	1335	1310	15.21
12	A'	1325	1300	39.61
13	A'	1211	1189	11.99
14	A'	1158	1136	146.61
15	A'	1075	1054	3.03
16	A'	1048	1028	0.84
17	A'	992	973	9.47
18	A'	847	832	36.78
19	A'	663	651	0.20
20	A'	513	503	1.20
21	A'	397	389	12.40
22	A"	951	933	0.06
23	A"	926	908	0.02
24	A"	822	806	10.04
25	A"	790	775	33.33
26	A"	732	718	0.10
27	A"	528	518	9.34
28	A"	447	438	121.83
29	A"	375	368	3.74
30	A"	221	217	0.45

Atom	x (Å)	y (Å)
N1	0.024	-1.867
C2	-1.115	-1.178
C3	-1.190	0.208
C4	0.000	0.934
C5	1.204	0.232
C6	1.152	-1.153
O7	0.045	2.275
H8	-2.043	-1.768
H9	-2.162	0.717
H10	2.152	0.777
H11	2.089	-1.727
H12	-0.869	2.620

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3316	2.4042	2.8012	2.4079	1.3349	4.1428	2.0695	3.3848	3.3940	2.0693	4.5758
C2	1.3316		1.3882	2.3884	2.7139	2.2672	3.6434	1.0992	2.1648	3.8076	3.2507	3.8067
C3	2.4042	1.3882		1.3935	2.3932	2.7081	2.4080	2.1523	1.0975	3.3897	3.8068	2.4337
C4	2.8012	2.3884	1.3935		1.3932	2.3834	1.3424	3.3871	2.1729	2.1578	3.3828	1.8974
C5	2.4079	2.7139	2.3932	1.3932		1.3858	2.3490	3.8130	3.4003	1.0939	2.1498	3.1623
C6	1.3349	2.2672	2.7081	2.3834	1.3858		3.6025	3.2534	3.8048	2.1735	1.0989	4.2804
O7	4.1428	3.6434	2.4080	1.3424	2.3490	3.6025		4.5506	2.7020	2.5856	4.4941	0.9769
H8	2.0695	1.0992	2.1523	3.3871	3.8130	3.2534	4.5506		2.4875	4.9065	4.1318	4.5428
H9	3.3848	2.1648	1.0975	2.1729	3.4003	3.8048	2.7020	2.4875		4.3145	4.9032	2.3015
H10	3.3940	3.8076	3.3897	2.1578	1.0939	2.1735	2.5856	4.9065	4.3145		2.5048	3.5391
H11	2.0693	3.2507	3.8068	3.3828	2.1498	1.0989	4.4941	4.1318	4.9032	2.5048		5.2583
H12	4.5758	3.8067	2.4337	1.8974	3.1623	4.2804	0.9769	4.5428	2.3015	3.5391	5.2583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.230	N1	C2	H8	116.390
N1	C6	C5	124.498	N1	C6	H11	116.136
C2	N1	C6	116.478	C2	C3	C4	118.322
C2	C3	H9	120.680	C3	C2	H8	119.380
C3	C4	C5	118.363	C3	C4	O7	123.312
C4	C3	H9	120.998	C4	C5	C6	118.110
C4	C5	H10	119.876	C4	O7	H12	108.763
C5	C4	O7	118.326	C5	C6	H11	119.367
C6	C5	H10	122.014

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

using model chemistry: LSDA/6-31G**

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	-0.378
2	C	0.015
3	C	-0.147
4	C	0.291
5	C	-0.117
6	C	0.011
7	O	-0.506
8	H	0.126
9	H	0.108
10	H	0.130
11	H	0.128
12	H	0.340

	x	y	z	Total
	-1.397	2.571	0.000	2.926
CHELPG
AIM
ESP

	x	y	z
x	10.703	-0.317	0.000
y	-0.317	11.088	0.000
z	0.000	0.000	3.434

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G**

States and conformations

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