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	hartrees
Energy at 0K	-77.906827
Energy at 298.15K	-77.908311
HF Energy	-77.906827
Nuclear repulsion energy	28.258669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3137	1.38
2	A'	3153	3058	4.04
3	A'	3047	2955	4.09
4	A'	1659	1609	1.55
5	A'	1364	1323	8.23
6	A'	1041	1010	10.33
7	A'	704	683	23.14
8	A"	908	881	64.29
9	A"	804	780	11.39

Atom	x (Å)	y (Å)
C1	0.050	0.724
C2	0.050	-0.589
H3	-0.683	1.532
H4	-0.889	-1.168
H5	0.978	-1.174

	C1	C2	H3	H4	H5
C1		1.3130	1.0911	2.1121	2.1127
C2	1.3130		2.2444	1.1030	1.0971
H3	1.0911	2.2444		2.7083	3.1753
H4	2.1121	1.1030	2.7083		1.8669
H5	2.1127	1.0971	3.1753	1.8669

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.668		C1	C2	H5	122.218
C2	C1	H3	137.815		H4	C2	H5	116.114

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3LYPultrafine/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	-0.110
2	C	-0.026
3	H	0.046
4	H	0.044
5	H	0.047

	x	y	z	Total
	-0.571	-0.269	0.000	0.631
CHELPG
AIM
ESP

	x	y	z
x	2.677	-0.242	0.000
y	-0.242	4.669	0.000
z	0.000	0.000	1.569

<r²>	20.443
(<r²>)^1/2	4.521

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)