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	hartrees
Energy at 0K	-153.169005
Energy at 298.15K	-153.171663
HF Energy	-153.169005
Nuclear repulsion energy	63.750530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3138	2.48
2	A'	3147	3026	2.19
3	A'	2939	2826	90.68
4	A'	1576	1516	42.44
5	A'	1468	1411	12.90
6	A'	1397	1343	11.15
7	A'	1160	1116	20.94
8	A'	975	937	2.77
9	A'	502	483	12.58
10	A"	979	942	0.70
11	A"	753	724	34.88
12	A"	440	423	0.28

Atom	x (Å)	y (Å)
C1	0.000	0.427
H2	0.295	1.492
C3	1.053	-0.528
O4	-1.189	0.115
H5	2.091	-0.220
H6	0.809	-1.583

	C1	H2	C3	O4	H5	H6
C1		1.1058	1.4210	1.2290	2.1883	2.1660
H2	1.1058		2.1576	2.0248	2.4811	3.1177
C3	1.4210	2.1576		2.3315	1.0827	1.0826
O4	1.2290	2.0248	2.3315		3.2963	2.6211
H5	2.1883	2.4811	1.0827	3.2963		1.8709
H6	2.1660	3.1177	1.0826	2.6211	1.8709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.275	C1	C3	H6	119.181
H2	C1	C3	116.724	H2	C1	O4	120.190
C3	C1	O4	123.086	H5	C3	H6	119.544

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

using model chemistry: B3PW91/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	0.050
3	C	-0.164
4	O	-0.259
5	H	0.123
6	H	0.130

	x	y	z	Total
	2.875	-0.022	0.000	2.875
CHELPG
AIM
ESP

	x	y	z
x	5.291	-0.372	0.000
y	-0.372	4.158	0.000
z	0.000	0.000	2.421

<r²>	41.876
(<r²>)^1/2	6.471

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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