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	hartrees
Energy at 0K	-153.121536
Energy at 298.15K	-153.124181
HF Energy	-153.121536
Nuclear repulsion energy	63.420230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3166	2.06
2	A'	3153	3042	1.87
3	A'	2941	2838	100.48
4	A'	1587	1531	44.50
5	A'	1453	1402	13.89
6	A'	1381	1333	9.33
7	A'	1158	1117	18.71
8	A'	971	937	3.08
9	A'	498	481	12.25
10	A"	974	940	0.84
11	A"	740	714	31.00
12	A"	443	428	0.24

Atom	x (Å)	y (Å)
C1	0.000	0.429
H2	0.307	1.502
C3	1.056	-0.532
O4	-1.194	0.118
H5	2.105	-0.227
H6	0.802	-1.596

	C1	H2	C3	O4	H5	H6
C1		1.1166	1.4277	1.2334	2.2049	2.1774
H2	1.1166		2.1678	2.0417	2.4944	3.1370
C3	1.4277	2.1678		2.3416	1.0929	1.0931
O4	1.2334	2.0417	2.3416		3.3169	2.6306
H5	2.2049	2.4944	1.0929	3.3169		1.8898
H6	2.1774	3.1370	1.0931	2.6306	1.8898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.464	C1	C3	H6	118.892
H2	C1	C3	116.333	H2	C1	O4	120.560
C3	C1	O4	123.107	H5	C3	H6	119.643

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

using model chemistry: B3PW91/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	0.096
2	H	0.007
3	C	-0.036
4	O	-0.210
5	H	0.068
6	H	0.075

	x	y	z	Total
	2.681	-0.049	0.000	2.682
CHELPG
AIM
ESP

	x	y	z
x	4.890	-0.347	0.000
y	-0.347	3.894	0.000
z	0.000	0.000	1.786

<r²>	42.075
(<r²>)^1/2	6.486

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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