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	hartrees
Energy at 0K	-153.247741
Energy at 298.15K	-153.250411
HF Energy	-153.247741
Nuclear repulsion energy	63.733962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3151	2.49
2	A'	3140	3043	2.07
3	A'	2939	2848	81.32
4	A'	1547	1499	43.01
5	A'	1476	1430	11.32
6	A'	1400	1356	14.46
7	A'	1161	1125	21.75
8	A'	981	951	3.31
9	A'	509	493	12.20
10	A"	982	951	0.44
11	A"	766	742	35.43
12	A"	445	431	0.32

Atom	x (Å)	y (Å)
C1	0.000	0.426
H2	0.287	1.492
C3	1.055	-0.523
O4	-1.190	0.109
H5	2.089	-0.209
H6	0.820	-1.578

	C1	H2	C3	O4	H5	H6
C1		1.1031	1.4193	1.2320	2.1830	2.1659
H2	1.1031		2.1562	2.0230	2.4774	3.1158
C3	1.4193	2.1562		2.3326	1.0807	1.0808
O4	1.2320	2.0230	2.3326		3.2945	2.6248
H5	2.1830	2.4774	1.0807	3.2945		1.8670
H6	2.1659	3.1158	1.0808	2.6248	1.8670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.072	C1	C3	H6	119.451
H2	C1	C3	116.933	H2	C1	O4	119.981
C3	C1	O4	123.086	H5	C3	H6	119.477

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	0.035
2	H	0.458
3	C	-0.820
4	O	-0.562
5	H	0.466
6	H	0.424

	x	y	z	Total
	3.013	-0.003	0.000	3.013
CHELPG
AIM
ESP

	x	y	z
x	5.891	-0.365	0.000
y	-0.365	4.632	0.000
z	0.000	0.000	3.238

<r²>	42.119
(<r²>)^1/2	6.490

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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