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	hartrees
Energy at 0K	-153.196060
Energy at 298.15K	-153.198726
HF Energy	-153.196060
Nuclear repulsion energy	63.333533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3172	2.71
2	A'	3146	3053	2.25
3	A'	2957	2869	80.58
4	A'	1540	1494	42.89
5	A'	1461	1418	11.29
6	A'	1381	1340	13.97
7	A'	1161	1127	19.72
8	A'	976	947	3.44
9	A'	503	488	12.49
10	A"	974	945	0.59
11	A"	777	754	36.34
12	A"	441	428	0.39

Atom	x (Å)	y (Å)
C1	0.000	0.430
H2	0.285	1.504
C3	1.061	-0.524
O4	-1.197	0.106
H5	2.103	-0.203
H6	0.825	-1.588

	C1	H2	C3	O4	H5	H6
C1		1.1115	1.4264	1.2403	2.1964	2.1803
H2	1.1115		2.1712	2.0371	2.4943	3.1393
C3	1.4264	2.1712		2.3447	1.0905	1.0904
O4	1.2403	2.0371	2.3447		3.3152	2.6389
H5	2.1964	2.4943	1.0905	3.3152		1.8847
H6	2.1803	3.1393	1.0904	2.6389	1.8847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	120.963	C1	C3	H6	119.461
H2	C1	C3	117.099	H2	C1	O4	119.946
C3	C1	O4	122.955	H5	C3	H6	119.576

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.927
2	H	-0.306
3	C	0.706
4	O	-0.467
5	H	-0.439
6	H	-0.421

	x	y	z	Total
	3.039	0.013	0.000	3.039
CHELPG
AIM
ESP

	x	y	z
x	5.949	-0.367	0.000
y	-0.367	4.634	0.000
z	0.000	0.000	3.172

<r²>	42.534
(<r²>)^1/2	6.522

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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