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	hartrees
Energy at 0K	-77.816904
Energy at 298.15K	-77.818418
HF Energy	-77.734592
Nuclear repulsion energy	28.379957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	3140	0.85
2	A'	3221	3068	3.40
3	A'	3113	2965	3.80
4	A'	1684	1604	2.42
5	A'	1419	1351	6.18
6	A'	1077	1026	7.12
7	A'	736	701	21.19
8	A"	937	892	96.24
9	A"	822	783	15.52

Atom	x (Å)	y (Å)
C1	0.049	0.724
C2	0.049	-0.589
H3	-0.681	1.519
H4	-0.881	-1.160
H5	0.969	-1.166

	C1	C2	H3	H4	H5
C1		1.3130	1.0796	2.1012	2.1016
C2	1.3130		2.2309	1.0915	1.0856
H3	1.0796	2.2309		2.6866	3.1513
H4	2.1012	1.0915	2.6866		1.8499
H5	2.1016	1.0856	3.1513	1.8499

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.557		C1	C2	H5	122.088
C2	C1	H3	137.422		H4	C2	H5	116.356

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B2PLYP/6-31+G**

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	-0.167
2	C	-0.298
3	H	0.158
4	H	0.150
5	H	0.157

	x	y	z
x	2.756	-0.077	0.000
y	-0.077	5.017	0.000
z	0.000	0.000	2.457

<r²>	20.589
(<r²>)^1/2	4.538

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for C₂H₃ (vinyl)