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	hartrees
Energy at 0K	-152.151833
Energy at 298.15K	-152.156005
Nuclear repulsion energy	69.710699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3395	3339	6.53
2	A'	3207	3154	3.17
3	A'	3127	3076	3.88
4	A'	3101	3050	6.22
5	A'	1688	1660	120.76
6	A'	1436	1413	10.17
7	A'	1365	1342	3.97
8	A'	1318	1296	10.07
9	A'	1081	1064	174.96
10	A'	959	943	5.11
11	A'	475	467	14.35
12	A"	987	970	35.53
13	A"	825	811	127.41
14	A"	701	689	0.00
15	A"	539	530	134.16

Atom	x (Å)	y (Å)
C1	1.222	-0.093
C2	0.000	0.435
O3	-1.203	-0.217
H4	1.394	-1.175
H5	2.101	0.552
H6	-0.162	1.518
H7	-1.045	-1.210

	C1	C2	O3	H4	H5	H6	H7
C1		1.3317	2.4284	1.0958	1.0904	2.1240	2.5278
C2	1.3317		1.3686	2.1303	2.1046	1.0948	1.9494
O3	2.4284	1.3686		2.7681	3.3927	2.0241	1.0050
H4	1.0958	2.1303	2.7681		1.8665	3.1106	2.4399
H5	1.0904	2.1046	3.3927	1.8665		2.4605	3.6065
H6	2.1240	1.0948	2.0241	3.1106	2.4605		2.8678
H7	2.5278	1.9494	1.0050	2.4399	3.6065	2.8678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.129	C1	C2	H6	121.865
C2	C1	H4	122.409	C2	C1	H5	120.343
C2	O3	H7	109.472	O3	C2	H6	110.006
H4	C1	H5	117.248

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: LSDA/3-21G

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	-0.496
2	C	0.015
3	O	-0.511
4	H	0.186
5	H	0.209
6	H	0.235
7	H	0.363

	x	y	z	Total
	0.417	-1.069	0.000	1.148
CHELPG
AIM
ESP

	x	y	z
x	4.906	-0.085	0.000
y	-0.085	3.757	0.000
z	0.000	0.000	1.073

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: LSDA/3-21G

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)