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	hartrees
Energy at 0K	-152.348511
Energy at 298.15K	-152.351050
HF Energy	-152.348511
Nuclear repulsion energy	63.690387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3155	0.68
2	A'	3082	3032	0.64
3	A'	2840	2795	90.15
4	A'	1597	1572	44.33
5	A'	1411	1388	13.56
6	A'	1344	1322	9.10
7	A'	1158	1139	8.29
8	A'	948	933	3.98
9	A'	478	470	11.39
10	A"	947	932	3.07
11	A"	700	689	30.09
12	A"	384	378	0.19

Atom	x (Å)	y (Å)
C1	0.000	0.426
H2	0.303	1.505
C3	1.051	-0.517
O4	-1.189	0.104
H5	2.101	-0.208
H6	0.799	-1.583

	C1	H2	C3	O4	H5	H6
C1		1.1212	1.4125	1.2317	2.1948	2.1619
H2	1.1212		2.1568	2.0466	2.4840	3.1277
C3	1.4125	2.1568		2.3250	1.0942	1.0947
O4	1.2317	2.0466	2.3250		3.3049	2.6077
H5	2.1948	2.4840	1.0942	3.3049		1.8929
H6	2.1619	3.1277	1.0947	2.6077	1.8929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.700	C1	C3	H6	118.593
H2	C1	C3	116.221	H2	C1	O4	120.811
C3	C1	O4	122.967	H5	C3	H6	119.707

All results from a given calculation for CH₂CHO (Vinyloxy radical)

using model chemistry: LSDA/6-31G(2df,p)

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	0.098
2	H	0.097
3	C	-0.328
4	O	-0.215
5	H	0.170
6	H	0.177

	x	y	z	Total
	2.668	-0.116	0.000	2.671
CHELPG
AIM
ESP

	x	y	z
x	5.011	-0.377	0.000
y	-0.377	4.068	0.000
z	0.000	0.000	2.016

<r²>	41.671
(<r²>)^1/2	6.455

All results from a given calculation for CH2CHO (Vinyloxy radical)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHO (Vinyloxy radical)