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	hartrees
Energy at 0K	-77.809222
Energy at 298.15K	-77.810729
HF Energy	-77.809222
Nuclear repulsion energy	28.404434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3136	1.87
2	A'	3200	3054	5.16
3	A'	3100	2958	4.23
4	A'	1685	1608	1.63
5	A'	1400	1336	7.03
6	A'	1063	1014	9.84
7	A'	724	691	22.08
8	A"	927	885	76.96
9	A"	836	798	7.40

Atom	x (Å)	y (Å)
C1	0.049	0.722
C2	0.049	-0.587
H3	-0.682	1.519
H4	-0.880	-1.164
H5	0.972	-1.165

	C1	C2	H3	H4	H5
C1		1.3087	1.0822	2.1026	2.1007
C2	1.3087		2.2296	1.0940	1.0889
H3	1.0822	2.2296		2.6908	3.1533
H4	2.1026	1.0940	2.6908		1.8517
H5	2.1007	1.0889	3.1533	1.8517

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.859		C1	C2	H5	122.093
C2	C1	H3	137.461		H4	C2	H5	116.047

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: HSEh1PBE/6-31G**

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	-0.126
2	C	-0.312
3	H	0.147
4	H	0.143
5	H	0.148

	x	y	z	Total
	-0.585	-0.250	0.000	0.636
CHELPG
AIM
ESP

	x	y	z
x	2.484	-0.252	0.000
y	-0.252	4.443	0.000
z	0.000	0.000	1.328

<r²>	20.155
(<r²>)^1/2	4.489

All results from a given calculation for C2H3 (vinyl)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for C₂H₃ (vinyl)