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	hartrees
Energy at 0K	-77.905903
Energy at 298.15K	-77.907422
HF Energy	-77.905903
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3261	0.54
2	A'	3173	3173	2.51
3	A'	3080	3080	3.34
4	A'	1667	1667	2.80
5	A'	1396	1396	9.56
6	A'	1060	1060	8.40
7	A'	723	723	20.39
8	A"	940	940	72.80
9	A"	850	850	21.35

Atom	x (Å)	y (Å)
C1	0.049	0.716
C2	0.049	-0.584
H3	-0.674	1.517
H4	-0.881	-1.153
H5	0.968	-1.160

	C1	C2	H3	H4	H5
C1		1.2998	1.0784	2.0875	2.0894
C2	1.2998		2.2212	1.0899	1.0851
H3	1.0784	2.2212		2.6778	3.1403
H4	2.0875	1.0899	2.6778		1.8487
H5	2.0894	1.0851	3.1403	1.8487

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.496		C1	C2	H5	122.088
C2	C1	H3	137.928		H4	C2	H5	116.415

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: wB97X-D/aug-cc-pVQZ

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	-0.321
2	C	-0.379
3	H	0.256
4	H	0.247
5	H	0.197

	x	y	z	Total
	-0.621	-0.325	0.000	0.701
CHELPG
AIM
ESP

	x	y	z
x	3.508	-0.069	0.000
y	-0.069	5.149	0.000
z	0.000	0.000	3.226

<r²>	20.293
(<r²>)^1/2	4.505

All results from a given calculation for C2H3 (vinyl)

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)