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	hartrees
Energy at 0K	-77.880844
Energy at 298.15K	-77.882294
HF Energy	-77.880844
Nuclear repulsion energy	28.275417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3139	2.97
2	A'	3043	3036	9.94
3	A'	2940	2933	12.49
4	A'	1604	1600	1.57
5	A'	1367	1363	7.84
6	A'	1029	1027	10.19
7	A'	699	698	27.29
8	A"	874	871	84.90
9	A"	760	758	10.52

Atom	x (Å)	y (Å)
C1	0.049	0.724
C2	0.049	-0.588
H3	-0.679	1.533
H4	-0.884	-1.177
H5	0.973	-1.177

	C1	C2	H3	H4	H5
C1		1.3121	1.0883	2.1175	2.1142
C2	1.3121		2.2425	1.1031	1.0961
H3	1.0883	2.2425		2.7178	3.1744
H4	2.1175	1.1031	2.7178		1.8568
H5	2.1142	1.0961	3.1744	1.8568

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.270		C1	C2	H5	122.532
C2	C1	H3	138.023		H4	C2	H5	115.198

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: BLYP/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	-0.201
2	C	-0.419
3	H	0.208
4	H	0.201
5	H	0.210

	x	y	z	Total
	-0.627	-0.309	0.000	0.700
CHELPG
AIM
ESP

	x	y	z
x	2.747	-0.181	0.002
y	-0.181	4.826	-0.001
z	0.002	-0.001	1.736

<r²>	20.581
(<r²>)^1/2	4.537

All results from a given calculation for C2H3 (vinyl)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₂H₃ (vinyl)