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	hartrees
Energy at 0K	-321.640912
Energy at 298.15K	-321.647495
Nuclear repulsion energy	273.236880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3559	3487	33.36
2	A'	3177	3113	1.24
3	A'	3139	3076	4.60
4	A'	3133	3069	31.74
5	A'	3119	3056	9.66
6	A'	1647	1614	88.85
7	A'	1620	1587	104.53
8	A'	1504	1473	25.30
9	A'	1446	1417	14.92
10	A'	1384	1356	26.75
11	A'	1352	1325	9.52
12	A'	1324	1297	28.67
13	A'	1224	1199	9.34
14	A'	1146	1123	185.93
15	A'	1088	1066	15.49
16	A'	1064	1042	0.18
17	A'	991	971	7.71
18	A'	843	826	44.19
19	A'	677	663	0.29
20	A'	524	513	0.51
21	A'	393	385	15.47
22	A"	978	959	0.05
23	A"	956	937	0.08
24	A"	846	829	9.44
25	A"	813	796	52.19
26	A"	743	728	0.15
27	A"	535	524	15.60
28	A"	453	444	169.90
29	A"	382	374	7.14
30	A"	227	222	0.95

Atom	x (Å)	y (Å)
N1	0.018	-1.873
C2	-1.135	-1.181
C3	-1.198	0.209
C4	0.000	0.926
C5	1.207	0.227
C6	1.163	-1.161
O7	0.060	2.289
H8	-2.057	-1.774
H9	-2.167	0.722
H10	2.151	0.778
H11	2.091	-1.742
H12	-0.840	2.696

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3442	2.4107	2.7984	2.4128	1.3481	4.1619	2.0767	3.3923	3.4022	2.0776	4.6483
C2	1.3442		1.3918	2.3935	2.7331	2.2981	3.6705	1.0956	2.1654	3.8259	3.2748	3.8884
C3	2.4107	1.3918		1.3963	2.4056	2.7298	2.4309	2.1609	1.0967	3.3972	3.8247	2.5125
C4	2.7984	2.3935	1.3963		1.3952	2.3891	1.3647	3.3940	2.1769	2.1561	3.3900	1.9593
C5	2.4128	2.7331	2.4056	1.3952		1.3885	2.3604	3.8284	3.4109	1.0928	2.1582	3.2078
C6	1.3481	2.2981	2.7298	2.3891	1.3885		3.6225	3.2773	3.8259	2.1762	1.0952	4.3462
O7	4.1619	3.6705	2.4309	1.3647	2.3604	3.6225		4.5813	2.7230	2.5804	4.5145	0.9875
H8	2.0767	1.0956	2.1609	3.3940	3.8284	3.2773	4.5813		2.4987	4.9210	4.1480	4.6324
H9	3.3923	2.1654	1.0967	2.1769	3.4109	3.8259	2.7230	2.4987		4.3187	4.9203	2.3783
H10	3.4022	3.8259	3.3972	2.1561	1.0928	2.1762	2.5804	4.9210	4.3187		2.5207	3.5534
H11	2.0776	3.2748	3.8247	3.3900	2.1582	1.0952	4.5145	4.1480	4.9203	2.5207		5.3189
H12	4.6483	3.8884	2.5125	1.9593	3.2078	4.3462	0.9875	4.6324	2.3783	3.5534	5.3189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.538	N1	C2	H8	116.309
N1	C6	C5	123.685	N1	C6	H11	116.111
C2	N1	C6	117.209	C2	C3	C4	118.294
C2	C3	H9	120.498	C3	C2	H8	120.153
C3	C4	C5	119.033	C3	C4	O7	123.392
C4	C3	H9	121.208	C4	C5	C6	118.241
C4	C5	H10	119.635	C4	O7	H12	111.815
C5	C4	O7	117.574	C5	C6	H11	120.204
C6	C5	H10	122.125

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	-0.307
2	C	-0.083
3	C	-0.113
4	C	0.187
5	C	-0.086
6	C	-0.088
7	O	-0.570
8	H	0.170
9	H	0.152
10	H	0.176
11	H	0.171
12	H	0.391

	x	y	z	Total
	-1.625	2.648	0.000	3.106
CHELPG
AIM
ESP

	x	y	z
x	10.543	-0.354	0.000
y	-0.354	11.064	0.000
z	0.000	0.000	3.021

<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)