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	hartrees
Energy at 0K	-153.746417
Energy at 298.15K	-153.750568
Nuclear repulsion energy	70.247279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3766	3603	24.30
2	A'	3279	3137	10.03
3	A'	3224	3084	8.36
4	A'	3179	3041	7.13
5	A'	1739	1663	161.35
6	A'	1467	1404	16.43
7	A'	1380	1320	1.67
8	A'	1341	1283	6.41
9	A'	1146	1096	188.48
10	A'	971	929	5.29
11	A'	490	469	13.02
12	A"	1003	960	28.90
13	A"	813	777	73.08
14	A"	717	686	0.00
15	A"	489	467	125.09

Atom	x (Å)	y (Å)
C1	1.215	-0.113
C2	0.000	0.438
O3	-1.196	-0.204
H4	1.366	-1.191
H5	2.097	0.516
H6	-0.152	1.514
H7	-1.033	-1.160

	C1	C2	O3	H4	H5	H6	H7
C1		1.3339	2.4118	1.0881	1.0836	2.1255	2.4794
C2	1.3339		1.3571	2.1263	2.0983	1.0868	1.9029
O3	2.4118	1.3571		2.7456	3.3702	2.0101	0.9694
H4	1.0881	2.1263	2.7456		1.8563	3.1024	2.4000
H5	1.0836	2.0983	3.3702	1.8563		2.4609	3.5503
H6	2.1255	1.0868	2.0101	3.1024	2.4609		2.8153
H7	2.4794	1.9029	0.9694	2.4000	3.5503	2.8153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.334	C1	C2	H6	122.488
C2	C1	H4	122.454	C2	C1	H5	120.082
C2	O3	H7	108.601	O3	C2	H6	110.178
H4	C1	H5	117.464

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: B3PW91/6-31G*

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	-0.461
2	C	0.132
3	O	-0.589
4	H	0.152
5	H	0.171
6	H	0.178
7	H	0.417

	x	y	z	Total
	0.495	-0.879	0.000	1.009
CHELPG
AIM
ESP

	x	y	z
x	5.114	-0.271	0.000
y	-0.271	3.824	0.000
z	0.000	0.000	1.589

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)