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	hartrees
Energy at 0K	-152.917653
Energy at 298.15K	-152.921859
Nuclear repulsion energy	69.700428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3575	3395	10.45
2	A'	3295	3129	7.58
3	A'	3241	3078	4.93
4	A'	3197	3036	4.76
5	A'	1722	1635	119.15
6	A'	1502	1426	13.09
7	A'	1402	1331	1.47
8	A'	1370	1301	10.20
9	A'	1109	1053	167.14
10	A'	980	930	26.15
11	A'	491	466	13.79
12	A"	1038	986	29.18
13	A"	891	847	125.59
14	A"	719	683	0.05
15	A"	507	481	152.31

Atom	x (Å)	y (Å)
C1	1.226	-0.076
C2	0.000	0.438
O3	-1.204	-0.237
H4	1.412	-1.145
H5	2.088	0.576
H6	-0.177	1.506
H7	-1.046	-1.214

	C1	C2	O3	H4	H5	H6	H7
C1		1.3300	2.4361	1.0849	1.0809	2.1154	2.5415
C2	1.3300		1.3807	2.1216	2.0928	1.0825	1.9554
O3	2.4361	1.3807		2.7696	3.3915	2.0230	0.9895
H4	1.0849	2.1216	2.7696		1.8493	3.0913	2.4594
H5	1.0809	2.0928	3.3915	1.8493		2.4491	3.6096
H6	2.1154	1.0825	2.0230	3.0913	2.4491		2.8553
H7	2.5415	1.9554	0.9895	2.4594	3.6096	2.8553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.967	C1	C2	H6	122.193
C2	C1	H4	122.613	C2	C1	H5	120.116
C2	O3	H7	110.086	O3	C2	H6	109.840
H4	C1	H5	117.271

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: mPW1PW91/3-21G*

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	-0.520
2	C	0.060
3	O	-0.575
4	H	0.200
5	H	0.219
6	H	0.246
7	H	0.370

	x	y	z	Total
	0.653	-0.966	0.000	1.166
CHELPG
AIM
ESP

	x	y	z
x	4.836	-0.151	0.000
y	-0.151	3.578	0.000
z	0.000	0.000	1.041

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)