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	hartrees
Energy at 0K	-77.861402
Energy at 298.15K	-77.862861
HF Energy	-77.861402
Nuclear repulsion energy	28.161543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3183	1.30
2	A'	3096	3096	6.45
3	A'	2992	2992	8.26
4	A'	1613	1613	1.41
5	A'	1350	1350	8.28
6	A'	1020	1020	9.70
7	A'	692	692	20.72
8	A"	896	896	72.57
9	A"	761	761	16.86

Atom	x (Å)	y (Å)
C1	0.050	0.728
C2	0.050	-0.592
H3	-0.685	1.536
H4	-0.889	-1.175
H5	0.978	-1.178

	C1	C2	H3	H4	H5
C1		1.3192	1.0924	2.1211	2.1201
C2	1.3192		2.2509	1.1047	1.0985
H3	1.0924	2.2509		2.7184	3.1835
H4	2.1211	1.1047	2.7184		1.8670
H5	2.1201	1.0985	3.1835	1.8670

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.856		C1	C2	H5	122.287
C2	C1	H3	137.744		H4	C2	H5	115.857

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B97D3/aug-cc-pVDZ

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	0.291
2	C	0.781
3	H	-0.446
4	H	-0.343
5	H	-0.283

	x	y	z	Total
	-0.601	-0.340	0.000	0.690
CHELPG
AIM
ESP

	x	y	z
x	3.615	-0.065	0.000
y	-0.065	5.444	0.000
z	0.000	0.000	3.291

<r²>	20.765
(<r²>)^1/2	4.557

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)