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	hartrees
Energy at 0K	-77.735311
Energy at 298.15K	-77.736835
HF Energy	-77.418484
Nuclear repulsion energy	28.428092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3116	0.55
2	A'	3196	3048	2.52
3	A'	3093	2950	3.12
4	A'	1654	1578	1.98
5	A'	1411	1346	7.07
6	A'	1079	1029	7.47
7	A'	734	700	17.25
8	A"	939	895	72.08
9	A"	842	803	10.57

Atom	x (Å)	y (Å)
C1	0.050	0.723
C2	0.050	-0.588
H3	-0.685	1.512
H4	-0.880	-1.155
H5	0.968	-1.165

	C1	C2	H3	H4	H5
C1		1.3107	1.0785	2.0959	2.0989
C2	1.3107		2.2250	1.0896	1.0842
H3	1.0785	2.2250		2.6748	3.1461
H4	2.0959	1.0896	2.6748		1.8482
H5	2.0989	1.0842	3.1461	1.8482

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.386		C1	C2	H5	122.141
C2	C1	H3	137.060		H4	C2	H5	116.474

All results from a given calculation for C₂H₃ (vinyl)

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

States and conformations

All results from a given calculation for C₂H₃ (vinyl)