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	hartrees
Energy at 0K	-153.625958
Energy at 298.15K	-153.630048
Nuclear repulsion energy	69.780638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3681	3630	15.38
2	A'	3206	3162	8.35
3	A'	3133	3090	7.80
4	A'	3101	3059	7.30
5	A'	1678	1655	147.10
6	A'	1409	1390	14.46
7	A'	1338	1320	1.16
8	A'	1293	1275	6.76
9	A'	1101	1085	166.86
10	A'	937	924	3.84
11	A'	475	468	12.13
12	A"	958	945	31.50
13	A"	759	749	56.70
14	A"	692	682	0.02
15	A"	492	485	111.13

Atom	x (Å)	y (Å)
C1	1.223	-0.116
C2	0.000	0.440
O3	-1.205	-0.203
H4	1.373	-1.200
H5	2.111	0.517
H6	-0.152	1.525
H7	-1.029	-1.164

	C1	C2	O3	H4	H5	H6	H7
C1		1.3436	2.4295	1.0948	1.0902	2.1406	2.4844
C2	1.3436		1.3661	2.1396	2.1120	1.0949	1.9065
O3	2.4295	1.3661		2.7643	3.3929	2.0235	0.9770
H4	1.0948	2.1396	2.7643		1.8690	3.1229	2.4028
H5	1.0902	2.1120	3.3929	1.8690		2.4769	3.5618
H6	2.1406	1.0949	2.0235	3.1229	2.4769		2.8286
H7	2.4844	1.9065	0.9770	2.4028	3.5618	2.8286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.431	C1	C2	H6	122.440
C2	C1	H4	122.346	C2	C1	H5	120.052
C2	O3	H7	107.755	O3	C2	H6	110.129
H4	C1	H5	117.602

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: PBEPBE/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	-0.325
2	C	0.145
3	O	-0.463
4	H	0.095
5	H	0.115
6	H	0.120
7	H	0.314

	x	y	z	Total
	0.373	-0.875	0.000	0.951
CHELPG
AIM
ESP

	x	y	z
x	5.299	-0.213	0.000
y	-0.213	4.011	0.000
z	0.000	0.000	1.655

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

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

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)