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	hartrees
Energy at 0K	-77.753240
Energy at 298.15K	-77.754755
HF Energy	-77.420164
Nuclear repulsion energy	28.332502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3252	3252
2	A'	3183	3183
3	A'	3078	3078
4	A'	1622	1622
5	A'	1405	1405
6	A'	1085	1085
7	A'	738	738
8	A"	920	920
9	A"	813	813

Atom	x (Å)	y (Å)
C1	0.050	0.726
C2	0.050	-0.591
H3	-0.690	1.512
H4	-0.882	-1.158
H5	0.971	-1.164

	C1	C2	H3	H4	H5
C1		1.3176	1.0794	2.1020	2.1031
C2	1.3176		2.2301	1.0908	1.0849
H3	1.0794	2.2301		2.6772	3.1502
H4	2.1020	1.0908	2.6772		1.8534
H5	2.1031	1.0849	3.1502	1.8534

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.285		C1	C2	H5	121.878
C2	C1	H3	136.749		H4	C2	H5	116.837

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: QCISD(TQ)/cc-pVTZ

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(TQ)/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)