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	hartrees
Energy at 0K	-77.913463
Energy at 298.15K	-77.914955
HF Energy	-77.913463
Nuclear repulsion energy	28.282218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3144	0.43
2	A'	3157	3063	3.15
3	A'	3052	2962	4.28
4	A'	1648	1599	2.02
5	A'	1377	1336	8.93
6	A'	1043	1012	8.66
7	A'	706	685	20.54
8	A"	932	905	71.04
9	A"	797	773	20.95

Atom	x (Å)	y (Å)
C1	0.049	0.724
C2	0.049	-0.589
H3	-0.678	1.533
H4	-0.888	-1.166
H5	0.974	-1.174

	C1	C2	H3	H4	H5
C1		1.3134	1.0881	2.1091	2.1115
C2	1.3134		2.2437	1.1000	1.0940
H3	1.0881	2.2437		2.7068	3.1717
H4	2.1091	1.1000	2.7068		1.8615
H5	2.1115	1.0940	3.1717	1.8615

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.585		C1	C2	H5	122.326
C2	C1	H3	138.040		H4	C2	H5	116.089

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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	0.306
2	C	0.943
3	H	-0.506
4	H	-0.403
5	H	-0.340

	x	y	z	Total
	-0.614	-0.328	0.000	0.697
CHELPG
AIM
ESP

	x	y	z
x	3.524	-0.075	0.000
y	-0.075	5.346	0.000
z	0.000	0.000	3.196

<r²>	20.703
(<r²>)^1/2	4.550

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)