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	hartrees
Energy at 0K	-77.925084
Energy at 298.15K	-77.926588
HF Energy	-77.925084
Nuclear repulsion energy	28.391317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3111	3.13
2	A'	3150	3034	9.44
3	A'	3046	2934	10.51
4	A'	1644	1583	1.94
5	A'	1411	1359	6.83
6	A'	1075	1036	9.82
7	A'	729	702	23.41
8	A"	918	884	91.79
9	A"	816	786	6.85

Atom	x (Å)	y (Å)
C1	0.050	0.723
C2	0.050	-0.587
H3	-0.685	1.518
H4	-0.879	-1.166
H5	0.970	-1.167

	C1	C2	H3	H4	H5
C1		1.3097	1.0824	2.1045	2.1021
C2	1.3097		2.2292	1.0944	1.0883
H3	1.0824	2.2292		2.6904	3.1541
H4	2.1045	1.0944	2.6904		1.8498
H5	2.1021	1.0883	3.1541	1.8498

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.920		C1	C2	H5	122.203
C2	C1	H3	137.262		H4	C2	H5	115.878

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: TPSSh/6-311G*

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	-0.220
2	C	-0.442
3	H	0.223
4	H	0.215
5	H	0.223

	x	y	z	Total
	-0.634	-0.287	0.000	0.696
CHELPG
AIM
ESP

	x	y	z
x	2.633	-0.180	0.000
y	-0.180	4.701	0.000
z	0.000	0.000	1.714

<r²>	20.350
(<r²>)^1/2	4.511

All results from a given calculation for C2H3 (vinyl)

using model chemistry: TPSSh/6-311G*

States and conformations

All results from a given calculation for C₂H₃ (vinyl)