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	hartrees
Energy at 0K	-153.187504
Energy at 298.15K	-153.190173
HF Energy	-153.187504
Nuclear repulsion energy	63.853300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	3148	2.21
2	A'	3164	3035	2.03
3	A'	2963	2842	86.42
4	A'	1586	1521	39.08
5	A'	1475	1415	13.52
6	A'	1404	1347	10.92
7	A'	1167	1119	21.36
8	A'	980	940	2.77
9	A'	504	484	12.77
10	A"	985	945	0.59
11	A"	756	726	35.18
12	A"	445	427	0.31

Atom	x (Å)	y (Å)
C1	0.000	0.427
H2	0.294	1.491
C3	1.051	-0.528
O4	-1.186	0.115
H5	2.087	-0.221
H6	0.805	-1.581

	C1	H2	C3	O4	H5	H6
C1		1.1039	1.4195	1.2265	2.1858	2.1629
H2	1.1039		2.1557	2.0209	2.4794	3.1138
C3	1.4195	2.1557		2.3273	1.0812	1.0813
O4	1.2265	2.0209	2.3273		3.2909	2.6153
H5	2.1858	2.4794	1.0812	3.2909		1.8691
H6	2.1629	3.1138	1.0813	2.6153	1.8691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.275	C1	C3	H6	119.118
H2	C1	C3	116.807	H2	C1	O4	120.176
C3	C1	O4	123.017	H5	C3	H6	119.607

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

using model chemistry: mPW1PW91/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	0.122
2	H	0.047
3	C	-0.157
4	O	-0.258
5	H	0.120
6	H	0.127

	x	y	z	Total
	2.869	-0.012	0.000	2.869
CHELPG
AIM
ESP

	x	y	z
x	5.248	-0.361	0.000
y	-0.361	4.113	0.000
z	0.000	0.000	2.413

<r²>	41.764
(<r²>)^1/2	6.463

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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