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	hartrees
Energy at 0K	-77.804522
Energy at 298.15K	-77.806014
HF Energy	-77.804522
Nuclear repulsion energy	28.288220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3144	1.49
2	A'	3195	3072	2.22
3	A'	3087	2968	2.49
4	A'	1677	1613	1.80
5	A'	1363	1310	9.40
6	A'	1041	1001	10.04
7	A'	705	678	22.71
8	A"	912	877	72.02
9	A"	822	791	9.76

Atom	x (Å)	y (Å)
C1	0.050	0.723
C2	0.050	-0.589
H3	-0.686	1.528
H4	-0.889	-1.166
H5	0.979	-1.170

	C1	C2	H3	H4	H5
C1		1.3117	1.0904	2.1089	2.1092
C2	1.3117		2.2409	1.1015	1.0962
H3	1.0904	2.2409		2.7014	3.1707
H4	2.1089	1.1015	2.7014		1.8672
H5	2.1092	1.0962	3.1707	1.8672

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.591		C1	C2	H5	122.066
C2	C1	H3	137.590		H4	C2	H5	116.344

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: PBE1PBE/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	-0.128
2	C	-0.084
3	H	0.071
4	H	0.069
5	H	0.072

	x	y	z	Total
	-0.585	-0.269	0.000	0.644
CHELPG
AIM
ESP

	x	y	z
x	2.646	-0.233	0.000
y	-0.233	4.635	0.000
z	0.000	0.000	1.577

<r²>	20.375
(<r²>)^1/2	4.514

All results from a given calculation for C2H3 (vinyl)

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)