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	hartrees
Energy at 0K	-77.859951
Energy at 298.15K	-77.861483
HF Energy	-77.859951
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3287	1.31
2	A'	3233	3233	13.38
3	A'	3121	3121	5.87
4	A'	1647	1647	4.79
5	A'	1426	1426	11.66
6	A'	1079	1079	8.44
7	A'	737	737	28.18
8	A"	978	978	111.63
9	A"	868	868	35.03

Atom	x (Å)	y (Å)
C1	0.048	0.731
C2	0.048	-0.596
H3	-0.676	1.539
H4	-0.877	-1.178
H5	0.975	-1.168

	C1	C2	H3	H4	H5
C1		1.3269	1.0852	2.1212	2.1123
C2	1.3269		2.2549	1.0932	1.0886
H3	1.0852	2.2549		2.7247	3.1703
H4	2.1212	1.0932	2.7247		1.8524
H5	2.1123	1.0886	3.1703	1.8524

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.143		C1	C2	H5	121.651
C2	C1	H3	138.169		H4	C2	H5	116.205

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: wB97X-D/SDD

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	-0.204
2	C	-0.449
3	H	0.218
4	H	0.213
5	H	0.222

	x	y	z	Total
	-0.784	-0.358	0.000	0.862
CHELPG
AIM
ESP

	x	y	z
x	2.192	-0.125	0.000
y	-0.125	4.609	0.000
z	0.000	0.000	1.331

<r²>	20.522
(<r²>)^1/2	4.530

All results from a given calculation for C2H3 (vinyl)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for C₂H₃ (vinyl)