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	hartrees
Energy at 0K	-77.856267
Energy at 298.15K	-77.857723
HF Energy	-77.856267
Nuclear repulsion energy	28.307641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3201	2.10
2	A'	3093	3093	7.57
3	A'	2997	2997	8.14
4	A'	1624	1624	1.12
5	A'	1365	1365	6.29
6	A'	1021	1021	11.44
7	A'	687	687	25.07
8	A"	893	893	61.14
9	A"	776	776	6.50

Atom	x (Å)	y (Å)
C1	0.048	0.724
C2	0.048	-0.588
H3	-0.669	1.537
H4	-0.880	-1.178
H5	0.972	-1.173

	C1	C2	H3	H4	H5
C1		1.3120	1.0847	2.1158	2.1097
C2	1.3120		2.2434	1.0992	1.0935
H3	1.0847	2.2434		2.7233	3.1685
H4	2.1158	1.0992	2.7233		1.8518
H5	2.1097	1.0935	3.1685	1.8518

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.440		C1	C2	H5	122.320
C2	C1	H3	138.590		H4	C2	H5	115.240

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B97D3/6-31G(2df,p)

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	-0.152
2	C	-0.275
3	H	0.156
4	H	0.134
5	H	0.137

	x	y	z	Total
	-0.553	-0.271	0.000	0.616
CHELPG
AIM
ESP

	x	y	z
x	2.700	-0.227	0.000
y	-0.227	4.569	0.000
z	0.000	0.000	1.727

<r²>	20.256
(<r²>)^1/2	4.501

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₃ (vinyl)