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	hartrees
Energy at 0K	-153.803469
Energy at 298.15K	-153.807655
HF Energy	-153.803469
Nuclear repulsion energy	70.546738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3887	3717	36.91
2	A'	3261	3119	10.19
3	A'	3212	3073	6.83
4	A'	3160	3023	6.27
5	A'	1737	1662	181.54
6	A'	1456	1393	13.84
7	A'	1373	1314	7.61
8	A'	1344	1285	4.58
9	A'	1151	1101	201.08
10	A'	973	931	8.17
11	A'	503	482	13.50
12	A"	1003	960	29.16
13	A"	836	799	88.10
14	A"	723	692	0.05
15	A"	476	456	107.83

Atom	x (Å)	y (Å)
C1	1.209	-0.114
C2	0.000	0.438
O3	-1.189	-0.204
H4	1.356	-1.190
H5	2.090	0.513
H6	-0.149	1.513
H7	-1.036	-1.151

	C1	C2	O3	H4	H5	H6	H7
C1		1.3290	2.4002	1.0859	1.0813	2.1189	2.4730
C2	1.3290		1.3516	2.1184	2.0917	1.0847	1.8967
O3	2.4002	1.3516		2.7294	3.3572	2.0070	0.9592
H4	1.0859	2.1184	2.7294		1.8542	3.0930	2.3920
H5	1.0813	2.0917	3.3572	1.8542		2.4526	3.5414
H6	2.1189	1.0847	2.0070	3.0930	2.4526		2.8070
H7	2.4730	1.8967	0.9592	2.3920	3.5414	2.8070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.111	C1	C2	H6	122.440
C2	C1	H4	122.293	C2	C1	H5	120.061
C2	O3	H7	109.154	O3	C2	H6	110.449
H4	C1	H5	117.646

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: wB97X-D/6-311G**

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	0.060
3	O	-0.334
4	H	0.110
5	H	0.127
6	H	0.130
7	H	0.253

	x	y	z	Total
	0.481	-0.831	0.000	0.960
CHELPG
AIM
ESP

	x	y	z
x	5.341	-0.362	0.000
y	-0.362	3.968	0.000
z	0.000	0.000	2.156

<r²>	45.614
(<r²>)^1/2	6.754

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)