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	hartrees
Energy at 0K	-153.658284
Energy at 298.15K	-153.662430
HF Energy	-153.658284
Nuclear repulsion energy	70.325997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3684	39.98
2	A'	3290	3141	6.47
3	A'	3236	3090	5.02
4	A'	3184	3040	5.92
5	A'	1727	1649	197.93
6	A'	1448	1383	16.60
7	A'	1359	1298	11.20
8	A'	1322	1263	0.84
9	A'	1138	1087	207.10
10	A'	965	921	5.67
11	A'	491	469	13.27
12	A"	1000	955	39.46
13	A"	834	796	89.70
14	A"	714	682	1.44
15	A"	465	444	112.54

Atom	x (Å)	y (Å)
C1	1.213	-0.115
C2	0.000	0.441
O3	-1.192	-0.204
H4	1.360	-1.192
H5	2.094	0.515
H6	-0.150	1.516
H7	-1.044	-1.158

	C1	C2	O3	H4	H5	H6	H7
C1		1.3339	2.4062	1.0871	1.0828	2.1254	2.4855
C2	1.3339		1.3554	2.1250	2.0948	1.0859	1.9089
O3	2.4062	1.3554		2.7364	3.3633	2.0118	0.9645
H4	1.0871	2.1250	2.7364		1.8577	3.1007	2.4039
H5	1.0828	2.0948	3.3633	1.8577		2.4567	3.5550
H6	2.1254	1.0859	2.0118	3.1007	2.4567		2.8193
H7	2.4855	1.9089	0.9645	2.4039	3.5550	2.8193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.947	C1	C2	H6	122.552
C2	C1	H4	122.414	C2	C1	H5	119.818
C2	O3	H7	109.583	O3	C2	H6	110.501
H4	C1	H5	117.768

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: HSEh1PBE/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	-0.361
2	C	0.008
3	O	-0.461
4	H	0.140
5	H	0.162
6	H	0.162
7	H	0.350

	x	y	z	Total
	0.605	-0.875	0.000	1.064
CHELPG
AIM
ESP

	x	y	z
x	5.825	-0.422	0.000
y	-0.422	4.112	0.000
z	0.000	0.000	3.107

<r²>	46.105
(<r²>)^1/2	6.790

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)