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	hartrees
Energy at 0K	-77.417555
Energy at 298.15K	-77.419184
HF Energy	-77.417555
Nuclear repulsion energy	28.718283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3379	3379	0.68
2	A'	3334	3334	5.83
3	A'	3250	3250	5.05
4	A'	1773	1773	2.81
5	A'	1509	1509	7.34
6	A'	1202	1202	7.88
7	A'	827	827	12.40
8	A"	1058	1058	70.88
9	A"	966	966	29.83

Atom	x (Å)	y (Å)
C1	0.051	0.717
C2	0.051	-0.582
H3	-0.704	1.475
H4	-0.870	-1.140
H5	0.965	-1.145

	C1	C2	H3	H4	H5
C1		1.2982	1.0697	2.0728	2.0744
C2	1.2982		2.1905	1.0773	1.0743
H3	1.0697	2.1905		2.6207	3.1066
H4	2.0728	1.0773	2.6207		1.8354
H5	2.0744	1.0743	3.1066	1.8354

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.248		C1	C2	H5	121.656
C2	C1	H3	135.150		H4	C2	H5	117.096

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: ROHF/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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Number	Element	Mulliken
1	C	-0.166
2	C	-0.212
3	H	0.139
4	H	0.120
5	H	0.119

	x	y	z	Total
	-0.594	-0.254	0.000	0.646
CHELPG
AIM
ESP

<r²>	20.178
(<r²>)^1/2	4.492

All results from a given calculation for C2H3 (vinyl)

using model chemistry: ROHF/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)