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	hartrees
Energy at 0K	-77.874178
Energy at 298.15K	-77.875709
HF Energy	-77.874178
Nuclear repulsion energy	28.480228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3250	0.71
2	A'	3192	3192	4.00
3	A'	3101	3101	2.79
4	A'	1680	1680	2.68
5	A'	1412	1412	7.32
6	A'	1084	1084	7.31
7	A'	745	745	18.56
8	A"	946	946	85.33
9	A"	857	857	17.58

Atom	x (Å)	y (Å)
C1	0.050	0.721
C2	0.050	-0.584
H3	-0.700	1.499
H4	-0.876	-1.162
H5	0.974	-1.157

	C1	C2	H3	H4	H5
C1		1.3052	1.0808	2.0982	2.0930
C2	1.3052		2.2144	1.0912	1.0873
H3	1.0808	2.2144		2.6671	3.1398
H4	2.0982	1.0912	2.6671		1.8500
H5	2.0930	1.0873	3.1398	1.8500

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.969		C1	C2	H5	121.780
C2	C1	H3	136.064		H4	C2	H5	116.251

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: M06-2X/6-311G*

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	-0.226
2	C	-0.477
3	H	0.237
4	H	0.230
5	H	0.236

	x	y	z	Total
	-0.621	-0.270	0.000	0.677
CHELPG
AIM
ESP

	x	y	z
x	2.590	-0.192	0.000
y	-0.192	4.630	0.000
z	0.000	0.000	1.710

<r²>	20.326
(<r²>)^1/2	4.508

All results from a given calculation for C2H3 (vinyl)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for C₂H₃ (vinyl)