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	hartrees
Energy at 0K	-150.978072
Energy at 298.15K
HF Energy	-150.978072
Nuclear repulsion energy	61.457159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3482	3181	0.10
2	A'	3307	3022	8.43
3	A'	3103	2835	29.82
4	A'	1542	1409	1.65
5	A'	1479	1352	0.83
6	A'	1344	1228	6.27
7	A'	1119	1023	3.30
8	A'	997	911	0.52
9	A'	476	435	3.91
10	A"	920	840	0.88
11	A"	641	585	21.47
12	A"	436i	399i	51.94

Atom	x (Å)	y (Å)
C1	0.000	0.431
H2	0.289	1.525
C3	1.109	-0.486
O4	-1.254	0.063
H5	2.153	-0.126
H6	0.941	-1.578

	C1	H2	C3	O4	H5	H6
C1		1.1316	1.4385	1.3072	2.2239	2.2183
H2	1.1316		2.1713	2.1259	2.4898	3.1705
C3	1.4385	2.1713		2.4258	1.1048	1.1047
O4	1.3072	2.1259	2.4258		3.4126	2.7410
H5	2.2239	2.4898	1.1048	3.4126		1.8912
H6	2.2183	3.1705	1.1047	2.7410	1.8912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.398	C1	C3	H6	120.878
H2	C1	C3	114.782	H2	C1	O4	121.152
C3	C1	O4	124.066	H5	C3	H6	117.725

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

using model chemistry: PBEPBE/STO-3G

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	0.016
2	H	0.062
3	C	-0.130
4	O	-0.135
5	H	0.091
6	H	0.095

	x	y	z	Total
	1.688	-0.049	0.000	1.689
CHELPG
AIM
ESP

	x	y	z
x	3.118	-0.287	0.000
y	-0.287	2.038	0.000
z	0.000	0.000	0.732

<r²>	43.032
(<r²>)^1/2	6.560

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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