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	hartrees
Energy at 0K	-77.809410
Energy at 298.15K	-77.810909
HF Energy	-77.809410
Nuclear repulsion energy	28.306800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3143	0.48
2	A'	3193	3070	2.42
3	A'	3087	2968	3.24
4	A'	1667	1603	2.13
5	A'	1374	1321	9.59
6	A'	1042	1002	8.51
7	A'	707	680	19.88
8	A"	932	896	73.94
9	A"	817	786	18.25

Atom	x (Å)	y (Å)
C1	0.050	0.723
C2	0.050	-0.589
H3	-0.682	1.529
H4	-0.888	-1.163
H5	0.975	-1.171

	C1	C2	H3	H4	H5
C1		1.3121	1.0880	2.1061	2.1085
C2	1.3121		2.2404	1.0991	1.0936
H3	1.0880	2.2404		2.6994	3.1679
H4	2.1061	1.0991	2.6994		1.8631
H5	2.1085	1.0936	3.1679	1.8631

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.474		C1	C2	H5	122.170
C2	C1	H3	137.767		H4	C2	H5	116.356

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: PBE1PBE/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	0.178
2	C	0.659
3	H	-0.362
4	H	-0.271
5	H	-0.204

	x	y	z	Total
	-0.616	-0.321	0.000	0.695
CHELPG
AIM
ESP

	x	y	z
x	3.466	-0.080	0.000
y	-0.080	5.233	0.000
z	0.000	0.000	3.157

<r²>	20.584
(<r²>)^1/2	4.537

All results from a given calculation for C2H3 (vinyl)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)