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	hartrees
Energy at 0K	-77.697694
Energy at 298.15K	-77.699212
HF Energy	-77.418469
Nuclear repulsion energy	28.400612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3138	0.69
2	A'	3214	3071	5.29
3	A'	3111	2972	4.73
4	A'	1654	1580	1.58
5	A'	1425	1361	5.30
6	A'	1093	1045	7.55
7	A'	748	715	16.70
8	A"	924	883	85.52
9	A"	807	771	1.88

Atom	x (Å)	y (Å)
C1	0.050	0.725
C2	0.050	-0.588
H3	-0.695	1.505
H4	-0.878	-1.160
H5	0.971	-1.162

	C1	C2	H3	H4	H5
C1		1.3129	1.0788	2.1008	2.0987
C2	1.3129		2.2219	1.0899	1.0845
H3	1.0788	2.2219		2.6716	3.1438
H4	2.1008	1.0899	2.6716		1.8484
H5	2.0987	1.0845	3.1438	1.8484

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.655		C1	C2	H5	121.906
C2	C1	H3	136.347		H4	C2	H5	116.439

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: QCISD/TZVP

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: QCISD/TZVP

States and conformations

All results from a given calculation for C₂H₃ (vinyl)