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	hartrees
Energy at 0K	-153.693572
Energy at 298.15K	-153.697745
Nuclear repulsion energy	69.737682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3686	3515	16.17
2	A'	3303	3150	13.93
3	A'	3266	3115	3.26
4	A'	3197	3049	5.67
5	A'	1729	1649	123.65
6	A'	1478	1409	12.10
7	A'	1380	1316	1.00
8	A'	1338	1276	4.53
9	A'	1104	1053	197.57
10	A'	966	922	19.34
11	A'	482	460	14.57
12	A"	1021	973	32.84
13	A"	890	849	102.95
14	A"	711	678	0.03
15	A"	490	467	171.97

Atom	x (Å)	y (Å)
C1	1.225	-0.080
C2	0.000	0.447
O3	-1.198	-0.240
H4	1.403	-1.150
H5	2.094	0.563
H6	-0.192	1.511
H7	-1.067	-1.206

	C1	C2	O3	H4	H5	H6	H7
C1		1.3332	2.4281	1.0852	1.0809	2.1304	2.5534
C2	1.3332		1.3811	2.1257	2.0969	1.0814	1.9674
O3	2.4281	1.3811		2.7554	3.3883	2.0195	0.9749
H4	1.0852	2.1257	2.7554		1.8475	3.1027	2.4701
H5	1.0809	2.0969	3.3883	1.8475		2.4747	3.6220
H6	2.1304	1.0814	2.0195	3.1027	2.4747		2.8545
H7	2.5534	1.9674	0.9749	2.4701	3.6220	2.8545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.900	C1	C2	H6	123.511
C2	C1	H4	122.706	C2	C1	H5	120.231
C2	O3	H7	112.090	O3	C2	H6	109.589
H4	C1	H5	117.063

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: B1B95/6-31G

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	-0.379
2	C	0.129
3	O	-0.602
4	H	0.137
5	H	0.155
6	H	0.180
7	H	0.381

	x	y	z	Total
	0.926	-0.989	0.000	1.354
CHELPG
AIM
ESP

	x	y	z
x	5.106	-0.194	0.000
y	-0.194	3.741	0.000
z	0.000	0.000	1.314

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)