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	hartrees
Energy at 0K	-77.892118
Energy at 298.15K	-77.893652
HF Energy	-77.892118
Nuclear repulsion energy	28.250663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3146	3.61
2	A'	3188	3067	12.55
3	A'	3081	2965	8.69
4	A'	1652	1589	2.11
5	A'	1448	1393	5.76
6	A'	1098	1056	9.09
7	A'	747	719	24.36
8	A"	957	921	93.75
9	A"	851	819	13.13

Atom	x (Å)	y (Å)
C1	0.048	0.728
C2	0.048	-0.592
H3	-0.676	1.532
H4	-0.875	-1.179
H5	0.970	-1.170

	C1	C2	H3	H4	H5
C1		1.3201	1.0823	2.1190	2.1105
C2	1.3201		2.2440	1.0943	1.0882
H3	1.0823	2.2440		2.7181	3.1644
H4	2.1190	1.0943	2.7181		1.8451
H5	2.1105	1.0882	3.1644	1.8451

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.451		C1	C2	H5	122.116
C2	C1	H3	137.949		H4	C2	H5	115.433

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: TPSSh/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	-0.123
2	C	-0.375
3	H	0.164
4	H	0.164
5	H	0.170

	x	y	z	Total
	-0.625	-0.252	0.000	0.674
CHELPG
AIM
ESP

	x	y	z
x	2.385	-0.242	0.000
y	-0.242	4.466	0.000
z	0.000	0.000	1.146

<r²>	20.368
(<r²>)^1/2	4.513

All results from a given calculation for C2H3 (vinyl)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)