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	hartrees
Energy at 0K	-77.938408
Energy at 298.15K	-77.939907
HF Energy	-77.938408
Nuclear repulsion energy	28.524490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3243	0.57
2	A'	3142	3142	3.28
3	A'	3046	3046	4.68
4	A'	1654	1654	2.10
5	A'	1396	1396	8.40
6	A'	1050	1050	8.24
7	A'	711	711	22.68
8	A"	929	929	71.64
9	A"	821	821	21.25

Atom	x (Å)	y (Å)
C1	0.048	0.717
C2	0.048	-0.584
H3	-0.664	1.527
H4	-0.879	-1.160
H5	0.966	-1.165

	C1	C2	H3	H4	H5
C1		1.3015	1.0781	2.0938	2.0936
C2	1.3015		2.2280	1.0915	1.0859
H3	1.0781	2.2280		2.6957	3.1464
H4	2.0938	1.0915	2.6957		1.8451
H5	2.0936	1.0859	3.1464	1.8451

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.837		C1	C2	H5	122.299
C2	C1	H3	138.690		H4	C2	H5	115.864

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3LYPultrafine/Def2TZVPP

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	-0.170
2	C	-0.195
3	H	0.139
4	H	0.108
5	H	0.118

	x	y	z	Total
	-0.619	-0.321	0.000	0.697
CHELPG
AIM
ESP

	x	y	z
x	3.075	-0.120	0.000
y	-0.120	5.089	0.000
z	0.000	0.000	2.558

<r²>	20.423
(<r²>)^1/2	4.519

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3LYPultrafine/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃ (vinyl)