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	hartrees
Energy at 0K	-153.186352
Energy at 298.15K	-153.189013
HF Energy	-153.186352
Nuclear repulsion energy	63.367514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3158	2.93
2	A'	3159	3046	2.17
3	A'	2975	2869	84.38
4	A'	1551	1496	45.50
5	A'	1480	1427	11.51
6	A'	1396	1346	12.89
7	A'	1166	1124	22.20
8	A'	982	947	3.00
9	A'	506	488	11.92
10	A"	974	939	0.48
11	A"	763	736	44.41
12	A"	448	432	0.34

Atom	x (Å)	y (Å)
C1	0.000	0.430
H2	0.277	1.501
C3	1.063	-0.519
O4	-1.198	0.102
H5	2.101	-0.200
H6	0.831	-1.580

	C1	H2	C3	O4	H5	H6
C1		1.1060	1.4251	1.2424	2.1928	2.1748
H2	1.1060		2.1674	2.0331	2.4931	3.1299
C3	1.4251	2.1674		2.3449	1.0858	1.0856
O4	1.2424	2.0331	2.3449		3.3125	2.6355
H5	2.1928	2.4931	1.0858	3.3125		1.8754
H6	2.1748	3.1299	1.0856	2.6355	1.8754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.102	C1	C3	H6	119.431
H2	C1	C3	117.256	H2	C1	O4	119.825
C3	C1	O4	122.918	H5	C3	H6	119.467

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

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

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	0.091
2	H	0.118
3	C	-0.152
4	O	-0.383
5	H	0.153
6	H	0.173

	x	y	z	Total
	3.141	0.052	0.000	3.142
CHELPG
AIM
ESP

	x	y	z
x	5.645	-0.392	0.000
y	-0.392	4.176	0.000
z	0.000	0.000	2.560

<r²>	42.490
(<r²>)^1/2	6.518

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

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

States and conformations

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