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	hartrees
Energy at 0K	-153.773916
Energy at 298.15K	-153.778083
Nuclear repulsion energy	70.445278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3871	3683	29.50
2	A'	3298	3138	8.13
3	A'	3234	3077	7.46
4	A'	3193	3038	6.54
5	A'	1750	1666	165.48
6	A'	1463	1392	16.52
7	A'	1379	1312	2.49
8	A'	1341	1276	5.02
9	A'	1149	1094	194.50
10	A'	974	927	4.02
11	A'	493	469	13.24
12	A"	1011	962	27.29
13	A"	826	786	71.60
14	A"	723	688	0.00
15	A"	482	458	123.64

Atom	x (Å)	y (Å)
C1	1.211	-0.115
C2	0.000	0.438
O3	-1.192	-0.202
H4	1.359	-1.191
H5	2.092	0.512
H6	-0.146	1.513
H7	-1.034	-1.153

	C1	C2	O3	H4	H5	H6	H7
C1		1.3312	2.4046	1.0857	1.0812	2.1196	2.4735
C2	1.3312		1.3529	2.1207	2.0932	1.0852	1.8971
O3	2.4046	1.3529		2.7355	3.3607	2.0088	0.9633
H4	1.0857	2.1207	2.7355		1.8537	3.0942	2.3933
H5	1.0812	2.0932	3.3607	1.8537		2.4519	3.5418
H6	2.1196	1.0852	2.0088	3.0942	2.4519		2.8096
H7	2.4735	1.8971	0.9633	2.3933	3.5418	2.8096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.240	C1	C2	H6	122.281
C2	C1	H4	122.348	C2	C1	H5	120.031
C2	O3	H7	108.811	O3	C2	H6	110.479
H4	C1	H5	117.621

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: mPW1PW91/6-31G**

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	-0.374
2	C	0.167
3	O	-0.515
4	H	0.114
5	H	0.134
6	H	0.142
7	H	0.331

	x	y	z	Total
	0.481	-0.862	0.000	0.987
CHELPG
AIM
ESP

	x	y	z
x	5.115	-0.282	0.000
y	-0.282	3.837	0.000
z	0.000	0.000	1.633

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)