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	hartrees
Energy at 0K	-77.810343
Energy at 298.15K	-77.811863
HF Energy	-77.728945
Nuclear repulsion energy	28.420850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	3300	2.00
2	A'	3223	3223	5.92
3	A'	3120	3120	4.26
4	A'	1706	1706	1.64
5	A'	1428	1428	5.54
6	A'	1087	1087	9.66
7	A'	741	741	20.00
8	A"	940	940	71.60
9	A"	831	831	7.37

Atom	x (Å)	y (Å)
C1	0.050	0.723
C2	0.050	-0.587
H3	-0.686	1.513
H4	-0.878	-1.162
H5	0.969	-1.164

	C1	C2	H3	H4	H5
C1		1.3101	1.0794	2.1007	2.0993
C2	1.3101		2.2252	1.0909	1.0855
H3	1.0794	2.2252		2.6820	3.1475
H4	2.1007	1.0909	2.6820		1.8464
H5	2.0993	1.0855	3.1475	1.8464

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.805		C1	C2	H5	122.124
C2	C1	H3	137.051		H4	C2	H5	116.071

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	-0.113
2	C	-0.265
3	H	0.128
4	H	0.122
5	H	0.127

	x	y	z	Total
	-0.575	-0.245	0.000	0.625
CHELPG
AIM
ESP

	x	y	z
x	2.460	-0.257	0.000
y	-0.257	4.385	0.000
z	0.000	0.000	1.308

<r²>	20.197
(<r²>)^1/2	4.494

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)