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	hartrees
Energy at 0K	-153.827537
Energy at 298.15K	-153.831664
Nuclear repulsion energy	70.062468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3802	3666	35.19
2	A'	3261	3145	8.73
3	A'	3213	3098	4.97
4	A'	3160	3047	5.96
5	A'	1703	1642	185.62
6	A'	1450	1398	16.71
7	A'	1351	1303	11.79
8	A'	1314	1267	0.59
9	A'	1121	1080	203.01
10	A'	959	925	11.84
11	A'	490	472	13.17
12	A"	992	956	39.66
13	A"	830	800	81.56
14	A"	707	682	1.57
15	A"	457	441	111.64

Atom	x (Å)	y (Å)
C1	1.218	-0.107
C2	0.000	0.443
O3	-1.196	-0.214
H4	1.372	-1.183
H5	2.096	0.527
H6	-0.160	1.517
H7	-1.046	-1.170

	C1	C2	O3	H4	H5	H6	H7
C1		1.3364	2.4166	1.0872	1.0831	2.1296	2.5010
C2	1.3364		1.3648	2.1279	2.0977	1.0856	1.9226
O3	2.4166	1.3648		2.7454	3.3747	2.0174	0.9681
H4	1.0872	2.1279	2.7454		1.8572	3.1045	2.4182
H5	1.0831	2.0977	3.3747	1.8572		2.4634	3.5711
H6	2.1296	1.0856	2.0174	3.1045	2.4634		2.8294
H7	2.5010	1.9226	0.9681	2.4182	3.5711	2.8294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.918	C1	C2	H6	122.776
C2	C1	H4	122.466	C2	C1	H5	119.853
C2	O3	H7	109.836	O3	C2	H6	110.306
H4	C1	H5	117.681

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: B3LYP/6-31+G**

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	C	-0.311
2	C	0.034
3	O	-0.466
4	H	0.120
5	H	0.141
6	H	0.140
7	H	0.343

	x	y	z	Total
	0.650	-0.860	0.000	1.078
CHELPG
AIM
ESP

	x	y	z
x	5.931	-0.411	0.000
y	-0.411	4.166	0.000
z	0.000	0.000	3.200

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)