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	hartrees
Energy at 0K	-28.971391
Energy at 298.15K	-28.975637
Nuclear repulsion energy	40.201571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4126	3727	46.34
2	A'	3411	3082	27.27
3	A'	3384	3057	4.52
4	A'	3302	2983	8.46
5	A'	1827	1650	231.01
6	A'	1573	1421	25.77
7	A'	1444	1304	11.60
8	A'	1423	1286	3.95
9	A'	1220	1102	234.79
10	A'	1029	930	15.49
11	A'	523	473	15.61
12	A"	1108	1001	30.31
13	A"	943	852	108.12
14	A"	772	697	0.02
15	A"	436	394	135.20

Atom	x (Å)	y (Å)
C1	1.209	-0.107
C2	0.000	0.441
O3	-1.188	-0.214
H4	1.361	-1.175
H5	2.080	0.523
H6	-0.149	1.507
H7	-1.040	-1.151

	C1	C2	O3	H4	H5	H6	H7
C1		1.3268	2.3988	1.0797	1.0750	2.1088	2.4794
C2	1.3268		1.3563	2.1130	2.0814	1.0763	1.9013
O3	2.3988	1.3563		2.7241	3.3497	2.0096	0.9483
H4	1.0797	2.1130	2.7241		1.8446	3.0782	2.4014
H5	1.0750	2.0814	3.3497	1.8446		2.4365	3.5407
H6	2.1088	1.0763	2.0096	3.0782	2.4365		2.8026
H7	2.4794	1.9013	0.9483	2.4014	3.5407	2.8026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.767	C1	C2	H6	122.353
C2	C1	H4	122.481	C2	C1	H5	119.758
C2	O3	H7	109.915	O3	C2	H6	110.880
H4	C1	H5	117.760

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: HF/CEP-121G*

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	-0.556
2	C	0.149
3	O	-0.590
4	H	0.174
5	H	0.185
6	H	0.190
7	H	0.447

	x	y	z	Total
	0.716	-0.817	0.000	1.086
CHELPG
AIM
ESP

	x	y	z
x	5.282	-0.552	0.000
y	-0.552	3.809	0.000
z	0.000	0.000	2.343

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)