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	hartrees
Energy at 0K	-77.871880
Energy at 298.15K	-77.873328
HF Energy	-77.871880
Nuclear repulsion energy	28.104529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3154	0.56
2	A'	3065	3059	4.06
3	A'	2955	2950	6.67
4	A'	1596	1593	1.69
5	A'	1340	1338	8.55
6	A'	1009	1008	8.74
7	A'	681	680	22.10
8	A"	897	895	70.43
9	A"	751	750	18.35

Atom	x (Å)	y (Å)
C1	0.049	0.728
C2	0.049	-0.593
H3	-0.677	1.548
H4	-0.893	-1.177
H5	0.978	-1.185

	C1	C2	H3	H4	H5
C1		1.3208	1.0948	2.1254	2.1265
C2	1.3208		2.2600	1.1086	1.1014
H3	1.0948	2.2600		2.7334	3.1944
H4	2.1254	1.1086	2.7334		1.8706
H5	2.1265	1.1014	3.1944	1.8706

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.821		C1	C2	H5	122.526
C2	C1	H3	138.467		H4	C2	H5	115.654

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: BLYP/aug-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	0.402
2	C	1.045
3	H	-0.576
4	H	-0.469
5	H	-0.402

	x	y	z	Total
	-0.612	-0.353	0.000	0.707
CHELPG
AIM
ESP

	x	y	z
x	3.700	-0.048	0.000
y	-0.048	5.582	0.000
z	0.000	0.000	3.292

<r²>	20.967
(<r²>)^1/2	4.579

All results from a given calculation for C2H3 (vinyl)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)