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	hartrees
Energy at 0K	-77.734671
Energy at 298.15K	-77.736195
HF Energy	-77.418487
Nuclear repulsion energy	28.431996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3084	0.55
2	A'	3199	3017	2.55
3	A'	3096	2920	3.22
4	A'	1655	1561	1.96
5	A'	1412	1332	6.91
6	A'	1080	1019	7.30
7	A'	735	693	17.15
8	A"	939	886	71.18
9	A"	841	793	11.28

Atom	x (Å)	y (Å)
C1	0.050	0.723
C2	0.050	-0.588
H3	-0.684	1.513
H4	-0.880	-1.155
H5	0.968	-1.164

	C1	C2	H3	H4	H5
C1		1.3106	1.0784	2.0954	2.0983
C2	1.3106		2.2252	1.0893	1.0840
H3	1.0784	2.2252		2.6750	3.1456
H4	2.0954	1.0893	2.6750		1.8482
H5	2.0983	1.0840	3.1456	1.8482

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.372		C1	C2	H5	122.115
C2	C1	H3	137.112		H4	C2	H5	116.513

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: CCSD/6-311+G(3df,2p)

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: CCSD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₃ (vinyl)