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	hartrees
Energy at 0K	-153.753167
Energy at 298.15K	-153.757326
Nuclear repulsion energy	70.335562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3800	3653	34.23
2	A'	3282	3155	6.63
3	A'	3211	3086	6.68
4	A'	3169	3046	6.58
5	A'	1739	1671	176.07
6	A'	1421	1365	15.50
7	A'	1362	1310	3.14
8	A'	1315	1264	4.45
9	A'	1140	1096	184.75
10	A'	959	922	3.45
11	A'	478	459	13.29
12	A"	998	959	27.48
13	A"	807	776	58.32
14	A"	716	688	0.10
15	A"	496	477	102.58

Atom	x (Å)	y (Å)
C1	1.212	-0.119
C2	0.000	0.437
O3	-1.194	-0.198
H4	1.352	-1.203
H5	2.099	0.511
H6	-0.145	1.519
H7	-1.031	-1.151

	C1	C2	O3	H4	H5	H6	H7
C1		1.3335	2.4068	1.0925	1.0880	2.1274	2.4687
C2	1.3335		1.3518	2.1253	2.1003	1.0922	1.8932
O3	2.4068	1.3518		2.7370	3.3679	2.0123	0.9670
H4	1.0925	2.1253	2.7370		1.8690	3.1066	2.3837
H5	1.0880	2.1003	3.3679	1.8690		2.4600	3.5436
H6	2.1274	1.0922	2.0123	3.1066	2.4600		2.8138
H7	2.4687	1.8932	0.9670	2.3837	3.5436	2.8138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.344	C1	C2	H6	122.259
C2	C1	H4	122.031	C2	C1	H5	119.969
C2	O3	H7	108.317	O3	C2	H6	110.397
H4	C1	H5	117.999

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: B1B95/cc-pVDZ

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	-0.101
2	C	0.052
3	O	-0.181
4	H	0.015
5	H	0.035
6	H	0.028
7	H	0.152

	x	y	z	Total
	0.298	-0.835	0.000	0.886
CHELPG
AIM
ESP

	x	y	z
x	5.256	-0.298	0.000
y	-0.298	4.007	0.000
z	0.000	0.000	1.851

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)