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	hartrees
Energy at 0K	-153.755887
Energy at 298.15K	-153.760023
Nuclear repulsion energy	70.347181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3848	3681	38.60
2	A'	3287	3144	7.41
3	A'	3231	3091	5.35
4	A'	3181	3043	6.15
5	A'	1725	1650	194.09
6	A'	1443	1381	16.96
7	A'	1354	1296	10.99
8	A'	1315	1258	0.57
9	A'	1132	1083	206.87
10	A'	960	919	5.53
11	A'	485	464	13.47
12	A"	997	953	38.20
13	A"	830	794	84.43
14	A"	711	680	1.40
15	A"	467	447	112.69

Atom	x (Å)	y (Å)
C1	1.212	-0.113
C2	0.000	0.441
O3	-1.192	-0.207
H4	1.361	-1.188
H5	2.091	0.518
H6	-0.153	1.514
H7	-1.042	-1.160

	C1	C2	O3	H4	H5	H6	H7
C1		1.3328	2.4059	1.0857	1.0815	2.1238	2.4860
C2	1.3328		1.3561	2.1228	2.0925	1.0844	1.9099
O3	2.4059	1.3561		2.7351	3.3618	2.0105	0.9645
H4	1.0857	2.1228	2.7351		1.8555	3.0976	2.4039
H5	1.0815	2.0925	3.3618	1.8555		2.4550	3.5543
H6	2.1238	1.0844	2.0105	3.0976	2.4550		2.8182
H7	2.4860	1.9099	0.9645	2.4039	3.5543	2.8182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.949	C1	C2	H6	122.617
C2	C1	H4	122.417	C2	C1	H5	119.802
C2	O3	H7	109.616	O3	C2	H6	110.434
H4	C1	H5	117.781

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: B1B95/6-31+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	-0.347
2	C	0.023
3	O	-0.462
4	H	0.132
5	H	0.154
6	H	0.154
7	H	0.347

	x	y	z	Total
	0.619	-0.871	0.000	1.069
CHELPG
AIM
ESP

	x	y	z
x	5.820	-0.405	0.000
y	-0.405	4.119	0.000
z	0.000	0.000	3.075

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)