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	hartrees
Energy at 0K	-77.880527
Energy at 298.15K	-77.881995
HF Energy	-77.880527
Nuclear repulsion energy	28.364314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3143	1.10
2	A'	3080	3036	6.63
3	A'	2986	2943	8.10
4	A'	1619	1596	1.55
5	A'	1368	1348	7.99
6	A'	1025	1010	9.38
7	A'	697	687	25.72
8	A"	892	879	82.80
9	A"	785	774	15.78

Atom	x (Å)	y (Å)
C1	0.048	0.722
C2	0.048	-0.587
H3	-0.672	1.532
H4	-0.880	-1.173
H5	0.973	-1.168

	C1	C2	H3	H4	H5
C1		1.3086	1.0840	2.1104	2.1042
C2	1.3086		2.2380	1.0982	1.0924
H3	1.0840	2.2380		2.7136	3.1619
H4	2.1104	1.0982	2.7136		1.8532
H5	2.1042	1.0924	3.1619	1.8532

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.283		C1	C2	H5	122.163
C2	C1	H3	138.386		H4	C2	H5	115.554

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B97D3/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	-0.130
2	C	-0.239
3	H	0.121
4	H	0.120
5	H	0.128

	x	y	z	Total
	-0.637	-0.329	0.000	0.717
CHELPG
AIM
ESP

	x	y	z
x	2.881	-0.126	0.000
y	-0.126	5.134	0.000
z	0.000	0.000	2.267

<r²>	20.506
(<r²>)^1/2	4.528

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for C₂H₃ (vinyl)