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	hartrees
Energy at 0K	-153.736356
Energy at 298.15K	-153.740507
Nuclear repulsion energy	70.394921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3777	3585	24.79
2	A'	3290	3123	9.84
3	A'	3232	3068	8.16
4	A'	3188	3027	7.24
5	A'	1750	1662	162.89
6	A'	1465	1391	17.34
7	A'	1380	1310	1.58
8	A'	1339	1271	5.26
9	A'	1149	1091	191.01
10	A'	971	922	4.09
11	A'	486	461	13.55
12	A"	1006	955	27.17
13	A"	815	774	69.42
14	A"	718	682	0.01
15	A"	489	465	124.78

Atom	x (Å)	y (Å)
C1	1.211	-0.113
C2	0.000	0.438
O3	-1.193	-0.204
H4	1.361	-1.189
H5	2.093	0.514
H6	-0.152	1.513
H7	-1.030	-1.158

	C1	C2	O3	H4	H5	H6	H7
C1		1.3309	2.4056	1.0865	1.0819	2.1217	2.4728
C2	1.3309		1.3542	2.1213	2.0945	1.0853	1.8993
O3	2.4056	1.3542		2.7368	3.3631	2.0073	0.9680
H4	1.0865	2.1213	2.7368		1.8541	3.0965	2.3906
H5	1.0819	2.0945	3.3631	1.8541		2.4571	3.5422
H6	2.1217	1.0853	2.0073	3.0965	2.4571		2.8113
H7	2.4728	1.8993	0.9680	2.3906	3.5422	2.8113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.250	C1	C2	H6	122.502
C2	C1	H4	122.359	C2	C1	H5	120.118
C2	O3	H7	108.607	O3	C2	H6	110.248
H4	C1	H5	117.523

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	-0.438
2	C	0.136
3	O	-0.587
4	H	0.143
5	H	0.163
6	H	0.169
7	H	0.414

	x	y	z	Total
	0.500	-0.873	0.000	1.006
CHELPG
AIM
ESP

	x	y	z
x	5.078	-0.265	0.000
y	-0.265	3.822	0.000
z	0.000	0.000	1.582

<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)