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	hartrees
Energy at 0K	-153.759287
Energy at 298.15K	-153.763371
Nuclear repulsion energy	69.553980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3632	3604	11.24
2	A'	3182	3157	12.85
3	A'	3120	3096	8.88
4	A'	3084	3060	7.71
5	A'	1662	1649	135.85
6	A'	1421	1411	15.40
7	A'	1333	1323	1.72
8	A'	1297	1287	7.33
9	A'	1088	1079	158.79
10	A'	936	928	10.50
11	A'	477	473	12.09
12	A"	959	952	28.46
13	A"	765	759	47.31
14	A"	688	683	0.00
15	A"	481	477	109.73

Atom	x (Å)	y (Å)
C1	1.228	-0.106
C2	0.000	0.443
O3	-1.209	-0.214
H4	1.386	-1.188
H5	2.111	0.532
H6	-0.163	1.524
H7	-1.030	-1.177

	C1	C2	O3	H4	H5	H6	H7
C1		1.3447	2.4389	1.0939	1.0895	2.1428	2.4995
C2	1.3447		1.3759	2.1404	2.1131	1.0935	1.9202
O3	2.4389	1.3759		2.7716	3.4028	2.0287	0.9794
H4	1.0939	2.1404	2.7716		1.8666	3.1236	2.4165
H5	1.0895	2.1131	3.4028	1.8666		2.4815	3.5764
H6	2.1428	1.0935	2.0287	3.1236	2.4815		2.8373
H7	2.4995	1.9202	0.9794	2.4165	3.5764	2.8373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.387	C1	C2	H6	122.668
C2	C1	H4	122.402	C2	C1	H5	120.102
C2	O3	H7	108.037	O3	C2	H6	109.945
H4	C1	H5	117.496

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	-0.255
2	C	0.176
3	O	-0.460
4	H	0.065
5	H	0.085
6	H	0.090
7	H	0.301

	x	y	z	Total
	0.419	-0.853	0.000	0.950
CHELPG
AIM
ESP

	x	y	z
x	5.314	-0.194	0.000
y	-0.194	4.031	0.000
z	0.000	0.000	1.637

<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)