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	hartrees
Energy at 0K	-151.451532
Energy at 298.15K	-151.454394
HF Energy	-151.451532
Nuclear repulsion energy	63.102847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3435	3110	4.06
2	A'	3333	3018	2.77
3	A'	3297	2986	40.87
4	A'	1626	1473	11.21
5	A'	1552	1406	1.80
6	A'	1293	1171	17.31
7	A'	1207	1093	2.52
8	A'	1047	948	0.11
9	A'	530	480	10.92
10	A"	1029	932	2.03
11	A"	902	817	65.74
12	A"	609	551	0.22

Atom	x (Å)	y (Å)
C1	0.000	0.433
H2	0.161	1.497
C3	1.094	-0.414
O4	-1.221	-0.014
H5	2.091	-0.023
H6	0.951	-1.475

	C1	H2	C3	O4	H5	H6
C1		1.0761	1.3833	1.3002	2.1405	2.1321
H2	1.0761		2.1263	2.0474	2.4574	3.0756
C3	1.3833	2.1263		2.3491	1.0709	1.0713
O4	1.3002	2.0474	2.3491		3.3122	2.6178
H5	2.1405	2.4574	1.0709	3.3122		1.8461
H6	2.1321	3.0756	1.0713	2.6178	1.8461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	120.903	C1	C3	H6	120.065
H2	C1	C3	119.148	H2	C1	O4	118.692
C3	C1	O4	122.159	H5	C3	H6	119.032

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

using model chemistry: HF/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	0.162
2	H	0.216
3	C	-0.430
4	O	-0.425
5	H	0.229
6	H	0.249

	x	y	z	Total
	2.478	0.375	0.000	2.507
CHELPG
AIM
ESP

	x	y	z
x	4.005	-0.206	0.000
y	-0.206	3.008	0.000
z	0.000	0.000	1.145

<r²>	42.246
(<r²>)^1/2	6.500

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

using model chemistry: HF/3-21G

States and conformations

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