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	hartrees
Energy at 0K	-153.576455
Energy at 298.15K	-153.580567
Nuclear repulsion energy	69.061482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3506	3457	8.87
2	A'	3218	3173	13.98
3	A'	3174	3131	4.17
4	A'	3113	3070	6.31
5	A'	1663	1640	114.19
6	A'	1434	1414	11.28
7	A'	1348	1330	0.36
8	A'	1304	1286	7.23
9	A'	1067	1052	164.32
10	A'	932	920	20.60
11	A'	471	464	12.85
12	A"	972	958	42.67
13	A"	825	814	88.34
14	A"	684	675	0.00
15	A"	499	492	149.88

Atom	x (Å)	y (Å)
C1	1.237	-0.081
C2	0.000	0.449
O3	-1.212	-0.240
H4	1.419	-1.161
H5	2.112	0.569
H6	-0.197	1.523
H7	-1.056	-1.217

	C1	C2	O3	H4	H5	H6	H7
C1		1.3459	2.4546	1.0949	1.0906	2.1515	2.5591
C2	1.3459		1.3948	2.1461	2.1158	1.0916	1.9731
O3	2.4546	1.3948		2.7878	3.4219	2.0348	0.9897
H4	1.0949	2.1461	2.7878		1.8639	3.1327	2.4756
H5	1.0906	2.1158	3.4219	1.8639		2.4984	3.6374
H6	2.1515	1.0916	2.0348	3.1327	2.4984		2.8720
H7	2.5591	1.9731	0.9897	2.4756	3.6374	2.8720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.168	C1	C2	H6	123.595
C2	C1	H4	122.775	C2	C1	H5	120.181
C2	O3	H7	110.529	O3	C2	H6	109.237
H4	C1	H5	117.044

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: PBEPBE/6-31G

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	-0.362
2	C	0.102
3	O	-0.550
4	H	0.128
5	H	0.146
6	H	0.168
7	H	0.366

	x	y	z	Total
	0.791	-0.995	0.000	1.271
CHELPG
AIM
ESP

	x	y	z
x	5.303	-0.134	0.000
y	-0.134	3.897	0.000
z	0.000	0.000	1.348

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)