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	hartrees
Energy at 0K	-317.592080
Energy at 298.15K	-317.598219
Nuclear repulsion energy	269.121744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3671	3287	11.08
2	A'	3453	3092	16.59
3	A'	3423	3065	8.51
4	A'	3404	3048	3.65
5	A'	3399	3044	1.67
6	A'	1723	1543	79.14
7	A'	1681	1505	61.85
8	A'	1577	1412	29.12
9	A'	1499	1343	31.71
10	A'	1443	1292	32.11
11	A'	1398	1252	18.36
12	A'	1345	1205	21.48
13	A'	1268	1135	24.50
14	A'	1253	1122	23.11
15	A'	1125	1008	4.03
16	A'	1086	973	1.90
17	A'	996	892	1.79
18	A'	862	772	11.15
19	A'	671	601	0.84
20	A'	522	468	0.59
21	A'	383	343	7.64
22	A"	1002	897	0.11
23	A"	977	875	0.53
24	A"	869	778	0.93
25	A"	821	735	30.03
26	A"	733	656	0.03
27	A"	559	501	84.28
28	A"	517	463	7.05
29	A"	372	333	1.80
30	A"	218	195	1.20

Atom	x (Å)	y (Å)
N1	0.023	-1.943
C2	-1.135	-1.187
C3	-1.205	0.210
C4	0.000	0.953
C5	1.219	0.232
C6	1.171	-1.164
O7	0.054	2.341
H8	-2.074	-1.768
H9	-2.176	0.726
H10	2.175	0.773
H11	2.118	-1.731
H12	-0.942	2.606

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3837	2.4791	2.8957	2.4824	1.3872	4.2838	2.1049	3.4588	3.4650	2.1058	4.6498
C2	1.3837		1.3988	2.4218	2.7492	2.3063	3.7224	1.1047	2.1778	3.8470	3.2989	3.7970
C3	2.4791	1.3988		1.4151	2.4245	2.7445	2.4745	2.1615	1.0997	3.4267	3.8489	2.4095
C4	2.8957	2.4218	1.4151		1.4164	2.4185	1.3891	3.4215	2.1877	2.1828	3.4191	1.9024
C5	2.4824	2.7492	2.4245	1.4164		1.3967	2.4090	3.8538	3.4313	1.0981	2.1593	3.2099
C6	1.3872	2.3063	2.7445	2.4185	1.3967		3.6778	3.3011	3.8437	2.1813	1.1045	4.3208
O7	4.2838	3.7224	2.4745	1.3891	2.4090	3.6778		4.6276	2.7531	2.6378	4.5651	1.0305
H8	2.1049	1.1047	2.1615	3.4215	3.8538	3.3011	4.6276		2.4970	4.9515	4.1929	4.5182
H9	3.4588	2.1778	1.0997	2.1877	3.4313	3.8437	2.7531	2.4970		4.3517	4.9479	2.2482
H10	3.4650	3.8470	3.4267	2.1828	1.0981	2.1813	2.6378	4.9515	4.3517		2.5044	3.6160
H11	2.1058	3.2989	3.8489	3.4191	2.1593	1.1045	4.5651	4.1929	4.9479	2.5044		5.3076
H12	4.6498	3.7970	2.4095	1.9024	3.2099	4.3208	1.0305	4.5182	2.2482	3.6160	5.3076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	125.994	N1	C2	H8	115.076
N1	C6	C5	126.180	N1	C6	H11	114.896
C2	N1	C6	112.674	C2	C3	C4	118.778
C2	C3	H9	120.838	C3	C2	H8	118.931
C3	C4	C5	117.798	C3	C4	O7	123.866
C4	C3	H9	120.385	C4	C5	C6	118.577
C4	C5	H10	119.946	C4	O7	H12	102.659
C5	C4	O7	118.336	C5	C6	H11	118.924
C6	C5	H10	121.477

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

using model chemistry: LSDA/STO-3G

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	-0.220
2	C	-0.025
3	C	-0.138
4	C	0.067
5	C	-0.123
6	C	-0.026
7	O	-0.183
8	H	0.106
9	H	0.095
10	H	0.112
11	H	0.107
12	H	0.227

	x	y	z	Total
	-1.284	2.866	0.000	3.140
CHELPG
AIM
ESP

	x	y	z
x	7.106	-0.379	0.000
y	-0.379	7.979	0.000
z	0.000	0.000	1.080

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/STO-3G

States and conformations

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