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	hartrees
Energy at 0K	-153.059438
Energy at 298.15K	-153.062171
HF Energy	-153.059438
Nuclear repulsion energy	63.114809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3159	4.47
2	A'	3192	3044	2.34
3	A'	3058	2916	73.61
4	A'	1509	1439	11.05
5	A'	1484	1415	1.15
6	A'	1367	1304	15.64
7	A'	1208	1152	12.02
8	A'	1010	964	3.73
9	A'	506	482	12.20
10	A"	1000	954	0.16
11	A"	827	789	54.92
12	A"	497	474	0.25

Atom	x (Å)	y (Å)
C1	0.000	0.430
H2	0.226	1.505
C3	1.080	-0.469
O4	-1.213	0.047
H5	2.105	-0.117
H6	0.890	-1.536

	C1	H2	C3	O4	H5	H6
C1		1.0977	1.4052	1.2718	2.1753	2.1579
H2	1.0977		2.1503	2.0477	2.4827	3.1119
C3	1.4052	2.1503		2.3499	1.0837	1.0839
O4	1.2718	2.0477	2.3499		3.3219	2.6314
H5	2.1753	2.4827	1.0837	3.3219		1.8680
H6	2.1579	3.1119	1.0839	2.6314	1.8680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.315	C1	C3	H6	119.652
H2	C1	C3	117.911	H2	C1	O4	119.404
C3	C1	O4	122.685	H5	C3	H6	119.033

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

using model chemistry: B1B95/6-31G

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	0.155
2	H	0.142
3	C	-0.269
4	O	-0.391
5	H	0.172
6	H	0.191

	x	y	z	Total
	3.113	0.132	0.000	3.115
CHELPG
AIM
ESP

	x	y	z
x	4.958	-0.304	0.000
y	-0.304	3.490	0.000
z	0.000	0.000	1.399

<r²>	42.253
(<r²>)^1/2	6.500

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

using model chemistry: B1B95/6-31G

States and conformations

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