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	hartrees
Energy at 0K	-77.427018
Energy at 298.15K	-77.428593
HF Energy	-77.427018
Nuclear repulsion energy	28.414627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3095	0.91
2	A'	3208	3076	3.89
3	A'	3132	3003	0.71
4	A'	1685	1616	3.31
5	A'	1466	1406	7.24
6	A'	1129	1082	7.54
7	A'	784	752	18.68
8	A"	1003	962	78.95
9	A"	888	852	30.51

Atom	x (Å)	y (Å)
C1	0.050	0.724
C2	0.050	-0.586
H3	-0.704	1.498
H4	-0.870	-1.173
H5	0.975	-1.157

	C1	C2	H3	H4	H5
C1		1.3103	1.0801	2.1085	2.0968
C2	1.3103		2.2159	1.0910	1.0874
H3	1.0801	2.2159		2.6760	3.1415
H4	2.1085	1.0910	2.6760		1.8448
H5	2.0968	1.0874	3.1415	1.8448

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.560		C1	C2	H5	121.700
C2	C1	H3	135.731		H4	C2	H5	115.741

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: M06-2X/3-21G

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	-0.167
2	C	-0.482
3	H	0.214
4	H	0.213
5	H	0.222

	x	y	z	Total
	-0.598	-0.251	0.000	0.648
CHELPG
AIM
ESP

	x	y	z
x	2.213	-0.261	0.000
y	-0.261	4.164	0.000
z	0.000	0.000	0.961

<r²>	20.285
(<r²>)^1/2	4.504

All results from a given calculation for C2H3 (vinyl)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)