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	hartrees
Energy at 0K	-77.792735
Energy at 298.15K	-77.794183
HF Energy	-77.792735
Nuclear repulsion energy	28.258975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3162	1.73
2	A'	3087	3056	4.14
3	A'	2987	2956	4.64
4	A'	1623	1607	1.56
5	A'	1345	1331	7.60
6	A'	1007	997	10.93
7	A'	678	671	24.64
8	A"	885	876	63.67
9	A"	781	773	4.85

Atom	x (Å)	y (Å)
C1	0.048	0.724
C2	0.048	-0.589
H3	-0.670	1.542
H4	-0.884	-1.179
H5	0.974	-1.177

	C1	C2	H3	H4	H5
C1		1.3127	1.0886	2.1189	2.1145
C2	1.3127		2.2485	1.1031	1.0970
H3	1.0886	2.2485		2.7293	3.1774
H4	2.1189	1.1031	2.7293		1.8579
H5	2.1145	1.0970	3.1774	1.8579

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.350		C1	C2	H5	122.424
C2	C1	H3	138.718		H4	C2	H5	115.226

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: PBEPBEultrafine/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	-0.144
2	C	-0.301
3	H	0.159
4	H	0.142
5	H	0.144

	x	y	z	Total
	-0.552	-0.274	0.000	0.616
CHELPG
AIM
ESP

	x	y	z
x	2.716	-0.227	0.000
y	-0.227	4.569	0.000
z	0.000	0.000	1.728

<r²>	20.318
(<r²>)^1/2	4.508

All results from a given calculation for C2H3 (vinyl)

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

States and conformations

All results from a given calculation for C₂H₃ (vinyl)