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	hartrees
Energy at 0K	-77.894376
Energy at 298.15K	-77.895834
HF Energy	-77.894376
Nuclear repulsion energy	28.358597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3145	0.43
2	A'	3045	3028	3.31
3	A'	2945	2929	6.37
4	A'	1601	1592	2.08
5	A'	1360	1353	8.47
6	A'	1015	1010	8.01
7	A'	687	683	23.58
8	A"	890	885	71.39
9	A"	777	773	17.46

Atom	x (Å)	y (Å)
C1	0.048	0.721
C2	0.048	-0.587
H3	-0.660	1.542
H4	-0.883	-1.171
H5	0.969	-1.176

	C1	C2	H3	H4	H5
C1		1.3082	1.0840	2.1091	2.1083
C2	1.3082		2.2436	1.0994	1.0926
H3	1.0840	2.2436		2.7222	3.1682
H4	2.1091	1.0994	2.7222		1.8520
H5	2.1083	1.0926	3.1682	1.8520

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.093		C1	C2	H5	122.588
C2	C1	H3	139.214		H4	C2	H5	115.319

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: BLYP/6-311+G(3df,2p)

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	-0.226
2	C	-0.280
3	H	0.191
4	H	0.152
5	H	0.164

	x	y	z	Total
	-0.619	-0.362	0.000	0.717
CHELPG
AIM
ESP

	x	y	z
x	3.525	-0.022	0.000
y	-0.022	5.345	0.000
z	0.000	0.000	3.222

<r²>	20.713
(<r²>)^1/2	4.551

All results from a given calculation for C2H3 (vinyl)

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₃ (vinyl)