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	hartrees
Energy at 0K	-153.710615
Energy at 298.15K	-153.714710
Nuclear repulsion energy	68.826841

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3461	3435	7.14
2	A'	3193	3169	19.78
3	A'	3158	3134	3.77
4	A'	3095	3072	6.84
5	A'	1647	1634	105.20
6	A'	1441	1431	12.77
7	A'	1344	1333	0.91
8	A'	1301	1291	7.25
9	A'	1058	1050	143.27
10	A'	919	913	35.90
11	A'	470	467	12.69
12	A"	968	961	38.97
13	A"	824	818	73.70
14	A"	679	674	0.01
15	A"	487	483	146.95

Atom	x (Å)	y (Å)
C1	1.242	-0.071
C2	0.000	0.452
O3	-1.217	-0.251
H4	1.431	-1.149
H5	2.113	0.584
H6	-0.209	1.522
H7	-1.054	-1.230

	C1	C2	O3	H4	H5	H6	H7
C1		1.3473	2.4650	1.0943	1.0903	2.1546	2.5714
C2	1.3473		1.4052	2.1471	2.1174	1.0907	1.9845
O3	2.4650	1.4052		2.7958	3.4331	2.0402	0.9921
H4	1.0943	2.1471	2.7958		1.8622	3.1343	2.4862
H5	1.0903	2.1174	3.4331	1.8622		2.5042	3.6497
H6	2.1546	1.0907	2.0402	3.1343	2.5042		2.8792
H7	2.5714	1.9845	0.9921	2.4862	3.6497	2.8792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.145	C1	C2	H6	123.854
C2	C1	H4	122.801	C2	C1	H5	120.236
C2	O3	H7	110.568	O3	C2	H6	109.001
H4	C1	H5	116.962

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: BLYP/6-31G

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	-0.292
2	C	0.130
3	O	-0.535
4	H	0.097
5	H	0.115
6	H	0.135
7	H	0.350

	x	y	z	Total
	0.825	-0.959	0.000	1.265
CHELPG
AIM
ESP

	x	y	z
x	5.330	-0.113	0.000
y	-0.113	3.934	0.000
z	0.000	0.000	1.327

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)