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	hartrees
Energy at 0K	-77.881550
Energy at 298.15K	-77.883056
HF Energy	-77.881550
Nuclear repulsion energy	28.572232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3131	0.78
2	A'	3176	3039	3.11
3	A'	3077	2944	3.57
4	A'	1676	1603	2.46
5	A'	1394	1334	9.01
6	A'	1047	1002	8.17
7	A'	711	680	24.36
8	A"	929	889	84.30
9	A"	838	802	18.80

Atom	x (Å)	y (Å)
C1	0.048	0.716
C2	0.048	-0.583
H3	-0.667	1.522
H4	-0.878	-1.159
H5	0.967	-1.161

	C1	C2	H3	H4	H5
C1		1.2986	1.0777	2.0907	2.0892
C2	1.2986		2.2230	1.0905	1.0851
H3	1.0777	2.2230		2.6887	3.1409
H4	2.0907	1.0905	2.6887		1.8445
H5	2.0892	1.0851	3.1409	1.8445

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.866		C1	C2	H5	122.177
C2	C1	H3	138.414		H4	C2	H5	115.957

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B1B95/TZVP

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	-0.121
2	C	-0.287
3	H	0.134
4	H	0.132
5	H	0.141

	x	y	z	Total
	-0.665	-0.319	0.000	0.738
CHELPG
AIM
ESP

	x	y	z
x	2.798	-0.122	0.000
y	-0.122	4.996	0.000
z	0.000	0.000	2.198

<r²>	20.288
(<r²>)^1/2	4.504

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B1B95/TZVP

States and conformations

All results from a given calculation for C₂H₃ (vinyl)