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	hartrees
Energy at 0K	-77.858524
Energy at 298.15K	-77.860005
HF Energy	-77.858524
Nuclear repulsion energy	28.326092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3127	1.68
2	A'	3180	3056	2.80
3	A'	3072	2953	2.58
4	A'	1676	1611	1.90
5	A'	1355	1303	9.00
6	A'	1033	993	10.57
7	A'	698	671	23.14
8	A"	904	869	69.56
9	A"	811	779	9.07

Atom	x (Å)	y (Å)
C1	0.050	0.722
C2	0.050	-0.587
H3	-0.685	1.527
H4	-0.887	-1.166
H5	0.977	-1.170

	C1	C2	H3	H4	H5
C1		1.3093	1.0898	2.1076	2.1070
C2	1.3093		2.2384	1.1007	1.0953
H3	1.0898	2.2384		2.7011	3.1679
H4	2.1076	1.1007	2.7011		1.8636
H5	2.1070	1.0953	3.1679	1.8636

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.741		C1	C2	H5	122.132
C2	C1	H3	137.634		H4	C2	H5	116.127

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B1B95/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	-0.119
2	C	-0.053
3	H	0.056
4	H	0.056
5	H	0.059

	x	y	z	Total
	-0.584	-0.280	0.000	0.648
CHELPG
AIM
ESP

	x	y	z
x	2.664	-0.233	0.000
y	-0.233	4.646	0.000
z	0.000	0.000	1.573

<r²>	20.329
(<r²>)^1/2	4.509

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)