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	hartrees
Energy at 0K	-77.360280
Energy at 298.15K	-77.361774
HF Energy	-77.360280
Nuclear repulsion energy	28.204674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3152	2.36
2	A'	3079	3051	5.46
3	A'	2982	2955	3.81
4	A'	1621	1606	2.17
5	A'	1411	1398	9.38
6	A'	1060	1051	9.84
7	A'	720	713	27.61
8	A"	907	899	94.03
9	A"	808	801	12.37

Atom	x (Å)	y (Å)
C1	0.049	0.727
C2	0.049	-0.589
H3	-0.688	1.530
H4	-0.880	-1.186
H5	0.980	-1.173

	C1	C2	H3	H4	H5
C1		1.3165	1.0898	2.1267	2.1157
C2	1.3165		2.2434	1.1043	1.0984
H3	1.0898	2.2434		2.7220	3.1758
H4	2.1267	1.1043	2.7220		1.8599
H5	2.1157	1.0984	3.1758	1.8599

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.691		C1	C2	H5	122.099
C2	C1	H3	137.409		H4	C2	H5	115.210

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: PBEPBE/3-21G

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	-0.165
2	C	-0.483
3	H	0.210
4	H	0.215
5	H	0.223

	x	y	z	Total
	-0.631	-0.302	0.000	0.700
CHELPG
AIM
ESP

	x	y	z
x	2.302	-0.243	0.000
y	-0.243	4.275	0.000
z	0.000	0.000	0.993

<r²>	20.441
(<r²>)^1/2	4.521

All results from a given calculation for C2H3 (vinyl)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)