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	hartrees
Energy at 0K	-77.857390
Energy at 298.15K	-77.858919
HF Energy	-77.857390
Nuclear repulsion energy	28.427123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3110	1.53
2	A'	3207	3048	5.27
3	A'	3116	2961	2.41
4	A'	1697	1613	1.77
5	A'	1409	1339	5.53
6	A'	1078	1024	8.16
7	A'	741	704	16.69
8	A"	950	903	70.62
9	A"	862	819	12.28

Atom	x (Å)	y (Å)
C1	0.050	0.723
C2	0.050	-0.586
H3	-0.699	1.503
H4	-0.876	-1.165
H5	0.976	-1.157

	C1	C2	H3	H4	H5
C1		1.3087	1.0816	2.1023	2.0956
C2	1.3087		2.2193	1.0918	1.0880
H3	1.0816	2.2193		2.6740	3.1437
H4	2.1023	1.0918	2.6740		1.8516
H5	2.0956	1.0880	3.1437	1.8516

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.019		C1	C2	H5	121.677
C2	C1	H3	136.192		H4	C2	H5	116.304

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: M06-2X/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	-0.119
2	C	-0.298
3	H	0.141
4	H	0.135
5	H	0.141

	x	y	z	Total
	-0.554	-0.212	0.000	0.593
CHELPG
AIM
ESP

	x	y	z
x	2.510	-0.277	0.000
y	-0.277	4.448	0.000
z	0.000	0.000	1.329

<r²>	20.166
(<r²>)^1/2	4.491

All results from a given calculation for C2H3 (vinyl)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for C₂H₃ (vinyl)