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	hartrees
Energy at 0K	-77.838141
Energy at 298.15K	-77.839643
HF Energy	-77.838141
Nuclear repulsion energy	28.526511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3266	0.66
2	A'	3171	3171	2.46
3	A'	3074	3074	3.59
4	A'	1667	1667	2.24
5	A'	1389	1389	9.28
6	A'	1046	1046	8.31
7	A'	709	709	22.07
8	A"	930	930	74.24
9	A"	838	838	18.67

Atom	x (Å)	y (Å)
C1	0.048	0.717
C2	0.048	-0.584
H3	-0.667	1.525
H4	-0.880	-1.158
H5	0.968	-1.162

	C1	C2	H3	H4	H5
C1		1.3012	1.0791	2.0922	2.0921
C2	1.3012		2.2270	1.0916	1.0865
H3	1.0791	2.2270		2.6910	3.1454
H4	2.0922	1.0916	2.6910		1.8489
H5	2.0921	1.0865	3.1454	1.8489

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.699		C1	C2	H5	122.127
C2	C1	H3	138.468		H4	C2	H5	116.174

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: HSEh1PBE/Def2TZVPP

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	-0.164
2	C	-0.173
3	H	0.129
4	H	0.099
5	H	0.109

	x	y	z	Total
	-0.619	-0.309	0.000	0.692
CHELPG
AIM
ESP

	x	y	z
x	3.047	-0.124	0.000
y	-0.124	5.027	0.000
z	0.000	0.000	2.550

<r²>	20.335
(<r²>)^1/2	4.509

All results from a given calculation for C2H3 (vinyl)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃ (vinyl)