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	hartrees
Energy at 0K	-77.915126
Energy at 298.15K	-77.916619
HF Energy	-77.915126
Nuclear repulsion energy	28.221893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3146	2.22
2	A'	3165	3078	4.96
3	A'	3054	2970	5.60
4	A'	1649	1604	1.52
5	A'	1380	1342	6.92
6	A'	1054	1025	10.61
7	A'	712	692	21.78
8	A"	913	888	71.01
9	A"	809	787	6.46

Atom	x (Å)	y (Å)
C1	0.050	0.726
C2	0.050	-0.590
H3	-0.687	1.530
H4	-0.888	-1.170
H5	0.978	-1.173

	C1	C2	H3	H4	H5
C1		1.3163	1.0912	2.1150	2.1140
C2	1.3163		2.2453	1.1025	1.0962
H3	1.0912	2.2453		2.7077	3.1756
H4	2.1150	1.1025	2.7077		1.8663
H5	2.1140	1.0962	3.1756	1.8663

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.708		C1	C2	H5	122.123
C2	C1	H3	137.499		H4	C2	H5	116.168

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: TPSSh/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	-0.129
2	C	-0.060
3	H	0.065
4	H	0.061
5	H	0.064

	x	y	z	Total
	-0.573	-0.265	0.000	0.632
CHELPG
AIM
ESP

	x	y	z
x	2.670	-0.238	0.000
y	-0.238	4.672	0.000
z	0.000	0.000	1.573

<r²>	20.431
(<r²>)^1/2	4.520

All results from a given calculation for C2H3 (vinyl)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)