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	hartrees
Energy at 0K	-77.937205
Energy at 298.15K	-77.938706
HF Energy	-77.937205
Nuclear repulsion energy	28.530109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3134	0.41
2	A'	3137	3035	2.75
3	A'	3041	2942	4.72
4	A'	1650	1596	2.20
5	A'	1395	1350	8.41
6	A'	1048	1013	8.01
7	A'	708	685	21.75
8	A"	929	899	69.53
9	A"	821	794	20.44

Atom	x (Å)	y (Å)
C1	0.048	0.717
C2	0.048	-0.584
H3	-0.662	1.528
H4	-0.880	-1.159
H5	0.965	-1.165

	C1	C2	H3	H4	H5
C1		1.3013	1.0777	2.0929	2.0937
C2	1.3013		2.2280	1.0914	1.0856
H3	1.0777	2.2280		2.6953	3.1462
H4	2.0929	1.0914	2.6953		1.8449
H5	2.0937	1.0856	3.1462	1.8449

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.777		C1	C2	H5	122.349
C2	C1	H3	138.770		H4	C2	H5	115.874

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	-0.591
2	C	-0.517
3	H	0.436
4	H	0.319
5	H	0.353

	x	y	z	Total
	-0.605	-0.326	0.000	0.687
CHELPG
AIM
ESP

	x	y	z
x	3.560	-0.058	0.000
y	-0.058	5.263	0.000
z	0.000	0.000	3.252

<r²>	20.461
(<r²>)^1/2	4.523

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)