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	hartrees
Energy at 0K	-77.856368
Energy at 298.15K	-77.857865
HF Energy	-77.856368
Nuclear repulsion energy	28.435986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3121	2.30
2	A'	3188	3044	5.48
3	A'	3088	2948	3.93
4	A'	1684	1608	1.77
5	A'	1394	1331	6.81
6	A'	1055	1007	10.17
7	A'	717	685	22.36
8	A"	919	878	74.82
9	A"	824	787	6.85

Atom	x (Å)	y (Å)
C1	0.049	0.721
C2	0.049	-0.586
H3	-0.683	1.518
H4	-0.878	-1.165
H5	0.970	-1.165

	C1	C2	H3	H4	H5
C1		1.3067	1.0819	2.1016	2.0988
C2	1.3067		2.2272	1.0933	1.0882
H3	1.0819	2.2272		2.6901	3.1511
H4	2.1016	1.0933	2.6901		1.8485
H5	2.0988	1.0882	3.1511	1.8485

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.001		C1	C2	H5	122.151
C2	C1	H3	137.443		H4	C2	H5	115.848

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B1B95/6-31G**

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	-0.120
2	C	-0.289
3	H	0.136
4	H	0.134
5	H	0.139

	x	y	z	Total
	-0.587	-0.262	0.000	0.642
CHELPG
AIM
ESP

	x	y	z
x	2.497	-0.251	0.000
y	-0.251	4.447	0.000
z	0.000	0.000	1.328

<r²>	20.114
(<r²>)^1/2	4.485

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₂H₃ (vinyl)