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	hartrees
Energy at 0K	-77.881714
Energy at 298.15K	-77.883224
HF Energy	-77.881714
Nuclear repulsion energy	28.421816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3132	1.90
2	A'	3208	3053	5.31
3	A'	3108	2957	4.33
4	A'	1686	1604	1.65
5	A'	1406	1338	6.93
6	A'	1068	1016	9.68
7	A'	728	692	21.89
8	A"	930	885	77.57
9	A"	839	798	7.74

Atom	x (Å)	y (Å)
C1	0.049	0.722
C2	0.049	-0.587
H3	-0.681	1.518
H4	-0.879	-1.164
H5	0.971	-1.164

	C1	C2	H3	H4	H5
C1		1.3084	1.0809	2.1015	2.0986
C2	1.3084		2.2283	1.0926	1.0876
H3	1.0809	2.2283		2.6897	3.1502
H4	2.1015	1.0926	2.6897		1.8497
H5	2.0986	1.0876	3.1502	1.8497

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.897		C1	C2	H5	122.026
C2	C1	H3	137.482		H4	C2	H5	116.077

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: mPW1PW91/6-31G**

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	-0.129
2	C	-0.317
3	H	0.150
4	H	0.146
5	H	0.151

	x	y	z	Total
	-0.585	-0.249	0.000	0.636
CHELPG
AIM
ESP

	x	y	z
x	2.474	-0.252	0.000
y	-0.252	4.435	0.000
z	0.000	0.000	1.328

<r²>	20.122
(<r²>)^1/2	4.486

All results from a given calculation for C2H3 (vinyl)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₂H₃ (vinyl)