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	hartrees
Energy at 0K	-77.899611
Energy at 298.15K	-77.901131
HF Energy	-77.899611
Nuclear repulsion energy	28.552452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3119	0.89
2	A'	3175	3035	3.13
3	A'	3080	2945	3.60
4	A'	1670	1597	2.54
5	A'	1396	1335	9.64
6	A'	1060	1013	8.99
7	A'	722	690	21.91
8	A"	940	898	72.25
9	A"	850	813	20.17

Atom	x (Å)	y (Å)
C1	0.051	0.718
C2	0.051	-0.583
H3	-0.699	1.496
H4	-0.881	-1.146
H5	0.972	-1.155

	C1	C2	H3	H4	H5
C1		1.3012	1.0808	2.0833	2.0874
C2	1.3012		2.2105	1.0882	1.0845
H3	1.0808	2.2105		2.6478	3.1341
H4	2.0833	1.0882	2.6478		1.8533
H5	2.0874	1.0845	3.1341	1.8533

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.107		C1	C2	H5	121.818
C2	C1	H3	136.057		H4	C2	H5	117.075

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: wB97X-D/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	-0.157
2	C	-0.223
3	H	0.135
4	H	0.119
5	H	0.126

	x	y	z	Total
	-0.618	-0.307	0.000	0.690
CHELPG
AIM
ESP

	x	y	z
x	2.959	-0.154	0.000
y	-0.154	4.907	0.000
z	0.000	0.000	2.246

<r²>	20.227
(<r²>)^1/2	4.497

All results from a given calculation for C2H3 (vinyl)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)