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	hartrees
Energy at 0K	-77.856511
Energy at 298.15K	-77.858021
HF Energy	-77.758763
Nuclear repulsion energy	28.526878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3270	0.67
2	A'	3183	3183	2.44
3	A'	3082	3082	3.17
4	A'	1672	1672	2.27
5	A'	1408	1408	8.00
6	A'	1064	1064	7.99
7	A'	720	720	20.72
8	A"	937	937	75.62
9	A"	830	830	17.44

Atom	x (Å)	y (Å)
C1	0.049	0.718
C2	0.049	-0.585
H3	-0.671	1.519
H4	-0.880	-1.155
H5	0.966	-1.162

	C1	C2	H3	H4	H5
C1		1.3036	1.0765	2.0902	2.0920
C2	1.3036		2.2239	1.0889	1.0833
H3	1.0765	2.2239		2.6816	3.1411
H4	2.0902	1.0889	2.6816		1.8454
H5	2.0920	1.0833	3.1411	1.8454

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.514		C1	C2	H5	122.162
C2	C1	H3	138.058		H4	C2	H5	116.323

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B2PLYP/Def2TZVPP

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	-0.155
2	C	-0.184
3	H	0.128
4	H	0.102
5	H	0.110

	x	y	z	Total
	-0.623	-0.311	0.000	0.696
CHELPG
AIM
ESP

	x	y	z
x	3.030	-0.125	0.000
y	-0.125	5.005	0.000
z	0.000	0.000	2.542

<r²>	20.412
(<r²>)^1/2	4.518

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃ (vinyl)