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	hartrees
Energy at 0K	-77.391680
Energy at 298.15K	-77.393307
HF Energy	-77.391680
Nuclear repulsion energy	28.669439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3392	3392	1.97
2	A'	3350	3350	8.25
3	A'	3264	3264	5.33
4	A'	1795	1795	1.85
5	A'	1513	1513	6.14
6	A'	1202	1202	9.91
7	A'	824	824	12.79
8	A"	1059	1059	62.55
9	A"	971	971	16.44

Atom	x (Å)	y (Å)
C1	0.051	0.718
C2	0.051	-0.582
H3	-0.706	1.477
H4	-0.870	-1.145
H5	0.966	-1.149

	C1	C2	H3	H4	H5
C1		1.2998	1.0721	2.0783	2.0790
C2	1.2998		2.1936	1.0795	1.0766
H3	1.0721	2.1936		2.6272	3.1131
H4	2.0783	1.0795	2.6272		1.8362
H5	2.0790	1.0766	3.1131	1.8362

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.455		C1	C2	H5	121.768
C2	C1	H3	135.057		H4	C2	H5	116.777

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: ROHF/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	-0.168
2	C	-0.332
3	H	0.182
4	H	0.158
5	H	0.161

	x	y	z	Total
	-0.551	-0.205	0.000	0.588
CHELPG
AIM
ESP

<r²>	19.985
(<r²>)^1/2	4.470

All results from a given calculation for C2H3 (vinyl)

using model chemistry: ROHF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₃ (vinyl)