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	hartrees
Energy at 0K	-77.834003
Energy at 298.15K	-77.835507
HF Energy	-77.834003
Nuclear repulsion energy	28.529125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3263	0.59
2	A'	3166	3166	2.06
3	A'	3069	3069	3.30
4	A'	1664	1664	2.45
5	A'	1388	1388	9.69
6	A'	1044	1044	8.19
7	A'	708	708	21.26
8	A"	930	930	73.62
9	A"	838	838	18.45

Atom	x (Å)	y (Å)
C1	0.048	0.717
C2	0.048	-0.584
H3	-0.665	1.526
H4	-0.881	-1.158
H5	0.967	-1.163

	C1	C2	H3	H4	H5
C1		1.3010	1.0789	2.0920	2.0925
C2	1.3010		2.2275	1.0915	1.0863
H3	1.0789	2.2275		2.6923	3.1459
H4	2.0920	1.0915	2.6923		1.8480
H5	2.0925	1.0863	3.1459	1.8480

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.698		C1	C2	H5	122.193
C2	C1	H3	138.590		H4	C2	H5	116.110

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	-0.249
2	C	-0.193
3	H	0.168
4	H	0.132
5	H	0.142

	x	y	z	Total
	-0.617	-0.320	0.000	0.695
CHELPG
AIM
ESP

	x	y	z
x	3.354	-0.063	0.000
y	-0.063	5.073	0.000
z	0.000	0.000	3.095

<r²>	20.373
(<r²>)^1/2	4.514

All results from a given calculation for C2H3 (vinyl)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₃ (vinyl)