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	hartrees
Energy at 0K	-2649.841142
Energy at 298.15K	-2649.846829
Nuclear repulsion energy	144.857756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3391	3081	7.45
2	A'	3377	3068	3.63
3	A'	3294	2993	1.13
4	A'	1803	1638	42.47
5	A'	1517	1378	12.26
6	A'	1390	1262	37.42
7	A'	1107	1006	9.71
8	A'	648	589	30.09
9	A'	374	340	0.08
10	A"	1078	980	59.35
11	A"	1073	975	18.06
12	A"	653	593	18.30

Atom	x (Å)	y (Å)
C1	0.454	-1.115
C2	-0.438	-2.074
Br3	0.000	0.726
H4	1.513	-1.277
H5	-0.112	-3.100
H6	-1.495	-1.883

	C1	C2	Br3	H4	H5	H6
C1		1.3103	1.8957	1.0715	2.0639	2.0950
C2	1.3103		2.8340	2.1081	1.0761	1.0742
Br3	1.8957	2.8340		2.5102	3.8269	3.0063
H4	1.0715	2.1081	2.5102		2.4418	3.0688
H5	2.0639	1.0761	3.8269	2.4418		1.8426
H6	2.0950	1.0742	3.0063	3.0688	1.8426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.409	C1	C2	H6	122.645
C2	C1	Br3	123.212	C2	C1	H4	124.217
Br3	C1	H4	112.570	H5	C2	H6	117.947

All results from a given calculation for C₂H₃Br (vinyl bromide)

using model chemistry: HF/6-311G**

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	-0.220
2	C	-0.152
3	Br	-0.049
4	H	0.159
5	H	0.127
6	H	0.135

	x	y	z	Total
	0.232	-1.792	0.000	1.807
CHELPG
AIM
ESP

	x	y	z
x	4.778	0.709	0.000
y	0.709	8.334	0.000
z	0.000	0.000	2.866

<r²>	92.054
(<r²>)^1/2	9.594

All results from a given calculation for C2H3Br (vinyl bromide)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₂H₃Br (vinyl bromide)