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	hartrees
Energy at 0K	-153.188338
Energy at 298.15K	-153.190937
HF Energy	-153.188338
Nuclear repulsion energy	63.190091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3163	5.33
2	A'	3063	3054	3.92
3	A'	2832	2824	108.55
4	A'	1495	1491	37.66
5	A'	1436	1432	9.58
6	A'	1358	1354	13.57
7	A'	1130	1127	16.90
8	A'	952	949	3.98
9	A'	494	492	11.44
10	A"	947	944	1.18
11	A"	731	728	29.54
12	A"	414	413	0.07

Atom	x (Å)	y (Å)
C1	0.000	0.428
H2	0.290	1.502
C3	1.066	-0.520
O4	-1.203	0.104
H5	2.106	-0.200
H6	0.834	-1.583

	C1	H2	C3	O4	H5	H6
C1		1.1126	1.4268	1.2463	2.1976	2.1774
H2	1.1126		2.1663	2.0460	2.4889	3.1330
C3	1.4268	2.1663		2.3536	1.0882	1.0878
O4	1.2463	2.0460	2.3536		3.3232	2.6453
H5	2.1976	2.4889	1.0882	3.3232		1.8790
H6	2.1774	3.1330	1.0878	2.6453	1.8790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.216	C1	C3	H6	119.362
H2	C1	C3	116.548	H2	C1	O4	120.196
C3	C1	O4	123.256	H5	C3	H6	119.422

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

using model chemistry: BLYP/cc-pVTZ

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	0.121
2	H	0.037
3	C	-0.149
4	O	-0.246
5	H	0.115
6	H	0.122

	x	y	z	Total
	2.792	-0.036	0.000	2.792
CHELPG
AIM
ESP

	x	y	z
x	5.579	-0.413	0.000
y	-0.413	4.429	0.000
z	0.000	0.000	2.455

<r²>	42.614
(<r²>)^1/2	6.528

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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