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	hartrees
Energy at 0K	-77.121262
Energy at 298.15K	-77.122878
HF Energy	-76.961811
Nuclear repulsion energy	28.509914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3058	1.76
2	A'	3211	2992	7.17
3	A'	3127	2913	2.98
4	A'	1707	1590	2.36
5	A'	1501	1398	6.38
6	A'	1158	1079	9.12
7	A'	806	751	18.12
8	A"	1055	983	77.26
9	A"	978	911	22.43

Atom	x (Å)	y (Å)
C1	0.050	0.720
C2	0.050	-0.582
H3	-0.700	1.499
H4	-0.871	-1.168
H5	0.971	-1.160

	C1	C2	H3	H4	H5
C1		1.3024	1.0810	2.1008	2.0937
C2	1.3024		2.2120	1.0916	1.0873
H3	1.0810	2.2120		2.6721	3.1403
H4	2.1008	1.0916	2.6721		1.8423
H5	2.0937	1.0873	3.1403	1.8423

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.440		C1	C2	H5	122.104
C2	C1	H3	136.075		H4	C2	H5	115.455

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: CID/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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All results from a given calculation for C2H3 (vinyl)

using model chemistry: CID/3-21G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)