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	hartrees
Energy at 0K	-77.811504
Energy at 298.15K	-77.813004
HF Energy	-77.730521
Nuclear repulsion energy	28.244445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3131	1.38
2	A'	3200	3065	3.21
3	A'	3090	2959	2.95
4	A'	1686	1615	1.80
5	A'	1383	1325	7.85
6	A'	1060	1015	9.94
7	A'	717	687	21.24
8	A"	922	883	68.87
9	A"	813	779	9.99

Atom	x (Å)	y (Å)
C1	0.050	0.725
C2	0.050	-0.590
H3	-0.690	1.526
H4	-0.889	-1.166
H5	0.978	-1.172

	C1	C2	H3	H4	H5
C1		1.3157	1.0900	2.1113	2.1124
C2	1.3157		2.2419	1.1011	1.0953
H3	1.0900	2.2419		2.6991	3.1720
H4	2.1113	1.1011	2.6991		1.8667
H5	2.1124	1.0953	3.1720	1.8667

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.504		C1	C2	H5	122.097
C2	C1	H3	137.274		H4	C2	H5	116.399

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B2PLYP/cc-pVDZ

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	-0.115
2	C	-0.051
3	H	0.057
4	H	0.054
5	H	0.056

	x	y	z	Total
	-0.580	-0.262	0.000	0.637
CHELPG
AIM
ESP

	x	y	z
x	2.643	-0.241	0.000
y	-0.241	4.612	0.000
z	0.000	0.000	1.558

<r²>	20.491
(<r²>)^1/2	4.527

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)