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	hartrees
Energy at 0K	-77.835509
Energy at 298.15K	-77.837021
HF Energy	-77.425391
Nuclear repulsion energy	28.468493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3269	3269
2	A'	3183	3183
3	A'	3080	3080
4	A'	1649	1649
5	A'	1408	1408
6	A'	1070	1070
7	A'	731	731
8	A"	928	928
9	A"	820	820

Atom	x (Å)	y (Å)
C1	0.050	0.721
C2	0.050	-0.587
H3	-0.679	1.514
H4	-0.881	-1.153
H5	0.965	-1.166

	C1	C2	H3	H4	H5
C1		1.3085	1.0762	2.0924	2.0980
C2	1.3085		2.2235	1.0888	1.0832
H3	1.0762	2.2235		2.6743	3.1440
H4	2.0924	1.0888	2.6743		1.8455
H5	2.0980	1.0832	3.1440	1.8455

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.311		C1	C2	H5	122.330
C2	C1	H3	137.415		H4	C2	H5	116.359

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: QCISD(T)=FULL/aug-cc-pVQZ

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(T)=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)