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	hartrees
Energy at 0K	-153.794823
Energy at 298.15K	-153.798917
Nuclear repulsion energy	69.640861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3593	3584	9.19
2	A'	3153	3145	18.19
3	A'	3104	3096	9.12
4	A'	3058	3050	9.34
5	A'	1644	1640	153.11
6	A'	1423	1419	14.54
7	A'	1331	1328	2.14
8	A'	1301	1298	12.20
9	A'	1091	1088	168.56
10	A'	933	931	16.08
11	A'	478	477	12.69
12	A"	952	950	44.33
13	A"	760	758	67.31
14	A"	687	686	0.20
15	A"	492	491	111.05

Atom	x (Å)	y (Å)
C1	1.227	-0.101
C2	0.000	0.441
O3	-1.206	-0.217
H4	1.392	-1.182
H5	2.109	0.537
H6	-0.170	1.520
H7	-1.043	-1.180

	C1	C2	O3	H4	H5	H6	H7
C1		1.3416	2.4359	1.0934	1.0887	2.1403	2.5132
C2	1.3416		1.3739	2.1385	2.1110	1.0919	1.9280
O3	2.4359	1.3739		2.7718	3.3996	2.0217	0.9777
H4	1.0934	2.1385	2.7718		1.8628	3.1212	2.4346
H5	1.0887	2.1110	3.3996	1.8628		2.4821	3.5892
H6	2.1403	1.0919	2.0217	3.1212	2.4821		2.8376
H7	2.5132	1.9280	0.9777	2.4346	3.5892	2.8376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.540	C1	C2	H6	122.835
C2	C1	H4	122.531	C2	C1	H5	120.242
C2	O3	H7	108.980	O3	C2	H6	109.625
H4	C1	H5	117.227

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: BLYP/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	-0.500
2	C	0.027
3	O	-0.473
4	H	0.179
5	H	0.193
6	H	0.199
7	H	0.374

	x	y	z	Total
	0.453	-0.911	0.000	1.017
CHELPG
AIM
ESP

	x	y	z
x	5.552	-0.240	0.000
y	-0.240	4.131	0.000
z	0.000	0.000	2.089

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)