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	hartrees
Energy at 0K	-77.799500
Energy at 298.15K	-77.801018
HF Energy	-77.723585
Nuclear repulsion energy	28.397918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3128	2.60
2	A'	3217	3054	6.24
3	A'	3116	2958	4.95
4	A'	1707	1621	1.61
5	A'	1437	1364	5.58
6	A'	1093	1037	9.79
7	A'	745	707	21.21
8	A"	941	893	75.85
9	A"	830	788	6.97

Atom	x (Å)	y (Å)
C1	0.050	0.723
C2	0.050	-0.587
H3	-0.688	1.513
H4	-0.878	-1.165
H5	0.970	-1.166

	C1	C2	H3	H4	H5
C1		1.3104	1.0810	2.1037	2.1017
C2	1.3104		2.2263	1.0927	1.0873
H3	1.0810	2.2263		2.6849	3.1511
H4	2.1037	1.0927	2.6849		1.8478
H5	2.1017	1.0873	3.1511	1.8478

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.921		C1	C2	H5	122.180
C2	C1	H3	136.951		H4	C2	H5	115.899

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B2PLYP/6-31G*

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	-0.153
2	C	-0.371
3	H	0.179
4	H	0.170
5	H	0.175

	x	y	z
x	2.433	-0.254	0.000
y	-0.254	4.357	0.000
z	0.000	0.000	1.268

<r²>	20.229
(<r²>)^1/2	4.498

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₂H₃ (vinyl)