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	hartrees
Energy at 0K	-323.477276
Energy at 298.15K	-323.483963
HF Energy	-323.477276
Nuclear repulsion energy	275.083690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3906	3736	71.31
2	A'	3233	3092	2.89
3	A'	3201	3062	11.47
4	A'	3178	3040	19.81
5	A'	3171	3033	21.04
6	A'	1680	1607	123.76
7	A'	1664	1592	125.07
8	A'	1553	1485	49.87
9	A'	1478	1414	30.98
10	A'	1388	1327	29.95
11	A'	1340	1282	57.85
12	A'	1323	1265	35.98
13	A'	1252	1197	16.63
14	A'	1205	1153	112.38
15	A'	1119	1071	2.85
16	A'	1089	1041	1.19
17	A'	1020	976	14.44
18	A'	861	824	42.73
19	A'	686	656	0.17
20	A'	535	512	0.32
21	A'	418	400	10.64
22	A"	1018	973	0.02
23	A"	983	941	0.02
24	A"	859	822	12.87
25	A"	829	793	48.61
26	A"	756	723	0.01
27	A"	549	525	20.42
28	A"	405	388	31.30
29	A"	393	376	89.26
30	A"	229	219	0.48

Atom	x (Å)	y (Å)
N1	0.020	-1.870
C2	-1.116	-1.175
C3	-1.189	0.210
C4	0.000	0.930
C5	1.201	0.228
C6	1.147	-1.154
O7	0.052	2.281
H8	-2.030	-1.761
H9	-2.153	0.709
H10	2.142	0.761
H11	2.069	-1.728
H12	-0.842	2.629

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3309	2.4057	2.7996	2.4076	1.3352	4.1509	2.0529	3.3722	3.3807	2.0544	4.5804
C2	1.3309		1.3874	2.3825	2.7084	2.2629	3.6484	1.0859	2.1513	3.7903	3.2325	3.8141
C3	2.4057	1.3874		1.3900	2.3897	2.7057	2.4145	2.1429	1.0852	3.3769	3.7911	2.4436
C4	2.7996	2.3825	1.3900		1.3903	2.3791	1.3523	3.3707	2.1638	2.1490	3.3681	1.8963
C5	2.4076	2.7084	2.3897	1.3903		1.3839	2.3520	3.7941	3.3874	1.0823	2.1405	3.1518
C6	1.3352	2.2629	2.7057	2.3791	1.3839		3.6058	3.2348	3.7898	2.1590	1.0858	4.2744
O7	4.1509	3.6484	2.4145	1.3523	2.3520	3.6058		4.5468	2.7075	2.5842	4.4877	0.9594
H8	2.0529	1.0859	2.1429	3.3707	3.7941	3.2348	4.5468		2.4734	4.8758	4.0996	4.5477
H9	3.3722	2.1513	1.0852	2.1638	3.3874	3.7898	2.7075	2.4734		4.2953	4.8749	2.3241
H10	3.3807	3.7903	3.3769	2.1490	1.0823	2.1590	2.5842	4.8758	4.2953		2.4904	3.5205
H11	2.0544	3.2325	3.7911	3.3681	2.1405	1.0858	4.4877	4.0996	4.8749	2.4904		5.2398
H12	4.5804	3.8141	2.4436	1.8963	3.1518	4.2744	0.9594	4.5477	2.3241	3.5205	5.2398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.486	N1	C2	H8	115.928
N1	C6	C5	124.600	N1	C6	H11	115.735
C2	N1	C6	116.159	C2	C3	C4	118.145
C2	C3	H9	120.441	C3	C2	H8	119.587
C3	C4	C5	118.525	C3	C4	O7	123.392
C4	C3	H9	121.415	C4	C5	C6	118.086
C4	C5	H10	120.199	C4	O7	H12	109.047
C5	C4	O7	118.084	C5	C6	H11	119.664
C6	C5	H10	121.715

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

using model chemistry: wB97X-D/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	-0.319
2	C	0.066
3	C	-0.248
4	C	0.253
5	C	-0.213
6	C	0.066
7	O	-0.354
8	H	0.124
9	H	0.112
10	H	0.128
11	H	0.126
12	H	0.260

	x	y	z	Total
	-1.409	2.381	0.000	2.767
CHELPG
AIM
ESP

	x	y	z
x	10.623	-0.234	0.000
y	-0.234	10.932	0.000
z	0.000	0.000	4.230

<r²>	177.866
(<r²>)^1/2	13.337

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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