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	hartrees
Energy at 0K	-77.937922
Energy at 298.15K	-77.939431
HF Energy	-77.937922
Nuclear repulsion energy	28.436402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3121	0.88
2	A'	3148	3034	4.97
3	A'	3048	2937	6.20
4	A'	1644	1584	2.19
5	A'	1406	1355	7.15
6	A'	1061	1023	8.45
7	A'	720	694	22.64
8	A"	928	895	87.71
9	A"	830	800	12.23

Atom	x (Å)	y (Å)
C1	0.048	0.720
C2	0.048	-0.586
H3	-0.672	1.526
H4	-0.879	-1.165
H5	0.970	-1.164

	C1	C2	H3	H4	H5
C1		1.3067	1.0809	2.1014	2.0975
C2	1.3067		2.2321	1.0934	1.0876
H3	1.0809	2.2321		2.6994	3.1516
H4	2.1014	1.0934	2.6994		1.8493
H5	2.0975	1.0876	3.1516	1.8493

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.961		C1	C2	H5	122.069
C2	C1	H3	138.213		H4	C2	H5	115.970

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: TPSSh/TZVP

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	-0.121
2	C	-0.265
3	H	0.127
4	H	0.126
5	H	0.134

	x	y	z	Total
	-0.649	-0.305	0.000	0.717
CHELPG
AIM
ESP

	x	y	z
x	2.809	-0.128	0.000
y	-0.128	5.029	0.000
z	0.000	0.000	2.220

<r²>	20.409
(<r²>)^1/2	4.518

All results from a given calculation for C2H3 (vinyl)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for C₂H₃ (vinyl)