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	hartrees
Energy at 0K	-153.823826
Energy at 298.15K	-153.828001
HF Energy	-153.823826
Nuclear repulsion energy	70.630290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3868	3700	40.28
2	A'	3265	3123	7.56
3	A'	3216	3077	4.19
4	A'	3166	3028	5.58
5	A'	1729	1654	190.18
6	A'	1459	1395	13.82
7	A'	1367	1307	11.88
8	A'	1343	1284	0.66
9	A'	1141	1092	195.21
10	A'	973	930	10.40
11	A'	503	481	12.56
12	A"	998	954	25.36
13	A"	846	809	82.06
14	A"	722	691	0.43
15	A"	460	440	88.99

Atom	x (Å)	y (Å)
C1	1.206	-0.109
C2	0.000	0.440
O3	-1.186	-0.210
H4	1.354	-1.182
H5	2.083	0.520
H6	-0.150	1.511
H7	-1.039	-1.157

	C1	C2	O3	H4	H5	H6	H7
C1		1.3253	2.3945	1.0833	1.0787	2.1130	2.4779
C2	1.3253		1.3521	2.1128	2.0846	1.0822	1.9051
O3	2.3945	1.3521		2.7200	3.3495	2.0089	0.9590
H4	1.0833	2.1128	2.7200		1.8512	3.0850	2.3932
H5	1.0787	2.0846	3.3495	1.8512		2.4433	3.5437
H6	2.1130	1.0822	2.0089	3.0850	2.4433		2.8129
H7	2.4779	1.9051	0.9590	2.3932	3.5437	2.8129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.847	C1	C2	H6	122.410
C2	C1	H4	122.297	C2	C1	H5	119.912
C2	O3	H7	109.869	O3	C2	H6	110.743
H4	C1	H5	117.791

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-0.873
2	C	-0.200
3	O	-0.432
4	H	0.466
5	H	0.308
6	H	0.590
7	H	0.141

	x	y	z	Total
	0.510	-0.813	0.000	0.960
CHELPG
AIM
ESP

	x	y	z
x	6.112	-0.264	0.000
y	-0.264	4.645	0.000
z	0.000	0.000	3.767

<r²>	45.665
(<r²>)^1/2	6.758

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)