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	hartrees
Energy at 0K	-153.820363
Energy at 298.15K	-153.824521
Nuclear repulsion energy	70.044762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3748	3635	28.29
2	A'	3252	3154	8.55
3	A'	3187	3091	6.96
4	A'	3144	3049	6.61
5	A'	1716	1664	167.08
6	A'	1427	1384	14.81
7	A'	1358	1317	2.49
8	A'	1318	1279	5.93
9	A'	1129	1095	178.28
10	A'	960	931	7.19
11	A'	486	471	12.91
12	A"	993	964	27.04
13	A"	809	785	55.11
14	A"	712	691	0.06
15	A"	490	476	101.19

Atom	x (Å)	y (Å)
C1	1.218	-0.114
C2	0.000	0.439
O3	-1.199	-0.204
H4	1.363	-1.199
H5	2.104	0.520
H6	-0.151	1.522
H7	-1.035	-1.161

	C1	C2	O3	H4	H5	H6	H7
C1		1.3375	2.4182	1.0946	1.0901	2.1337	2.4842
C2	1.3375		1.3599	2.1308	2.1059	1.0942	1.9050
O3	2.4182	1.3599		2.7484	3.3814	2.0190	0.9707
H4	1.0946	2.1308	2.7484		1.8723	3.1144	2.3986
H5	1.0901	2.1059	3.3814	1.8723		2.4681	3.5611
H6	2.1337	1.0942	2.0190	3.1144	2.4681		2.8248
H7	2.4842	1.9050	0.9707	2.3986	3.5611	2.8248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.394	C1	C2	H6	122.359
C2	C1	H4	122.043	C2	C1	H5	119.993
C2	O3	H7	108.494	O3	C2	H6	110.246
H4	C1	H5	117.964

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: B3LYP/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	-0.071
2	C	0.060
3	O	-0.174
4	H	0.002
5	H	0.022
6	H	0.015
7	H	0.147

	x	y	z	Total
	0.300	-0.830	0.000	0.882
CHELPG
AIM
ESP

	x	y	z
x	5.312	-0.286	0.000
y	-0.286	4.050	0.000
z	0.000	0.000	1.844

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)