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	hartrees
Energy at 0K	-153.175911
Energy at 298.15K	-153.178573
HF Energy	-153.175911
Nuclear repulsion energy	63.432338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3150	4.17
2	A'	3162	3038	2.21
3	A'	2956	2841	94.13
4	A'	1567	1505	30.32
5	A'	1487	1429	9.92
6	A'	1408	1353	10.02
7	A'	1163	1117	19.81
8	A'	981	942	3.07
9	A'	503	484	12.44
10	A"	978	939	1.03
11	A"	754	724	34.14
12	A"	458	440	0.31

Atom	x (Å)	y (Å)
C1	0.000	0.430
H2	0.292	1.498
C3	1.060	-0.522
O4	-1.197	0.106
H5	2.100	-0.210
H6	0.822	-1.581

	C1	H2	C3	O4	H5	H6
C1		1.1078	1.4244	1.2396	2.1949	2.1720
H2	1.1078		2.1614	2.0380	2.4874	3.1243
C3	1.4244	2.1614		2.3424	1.0854	1.0851
O4	1.2396	2.0380	2.3424		3.3114	2.6308
H5	2.1949	2.4874	1.0854	3.3114		1.8736
H6	2.1720	3.1243	1.0851	2.6308	1.8736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.389	C1	C3	H6	119.260
H2	C1	C3	116.646	H2	C1	O4	120.399
C3	C1	O4	122.955	H5	C3	H6	119.351

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

using model chemistry: B3LYP/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	0.261
2	H	0.072
3	C	-0.201
4	O	-0.395
5	H	0.124
6	H	0.141

	x	y	z	Total
	2.795	-0.031	0.000	2.795
CHELPG
AIM
ESP

	x	y	z
x	4.854	-0.337	0.000
y	-0.337	3.708	0.000
z	0.000	0.000	1.616

<r²>	42.014
(<r²>)^1/2	6.482

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

using model chemistry: B3LYP/6-31G**

States and conformations

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