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	hartrees
Energy at 0K	-2649.683434
Energy at 298.15K	-2649.688881
Nuclear repulsion energy	142.388430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3156	4.41
2	A'	3146	3130	3.06
3	A'	3081	3065	0.24
4	A'	1603	1594	61.12
5	A'	1370	1362	11.99
6	A'	1248	1241	27.94
7	A'	989	984	13.63
8	A'	564	561	31.02
9	A'	331	330	0.10
10	A"	936	931	46.83
11	A"	882	877	24.12
12	A"	585	582	20.56

Atom	x (Å)	y (Å)
C1	0.458	-1.129
C2	-0.444	-2.118
Br3	0.000	0.739
H4	1.538	-1.279
H5	-0.100	-3.156
H6	-1.521	-1.938

	C1	C2	Br3	H4	H5	H6
C1		1.3386	1.9231	1.0905	2.1022	2.1386
C2	1.3386		2.8906	2.1525	1.0937	1.0919
Br3	1.9231	2.8906		2.5375	3.8957	3.0790
H4	1.0905	2.1525	2.5375		2.4911	3.1298
H5	2.1022	1.0937	3.8957	2.4911		1.8714
H6	2.1386	1.0919	3.0790	3.1298	1.8714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.264	C1	C2	H6	122.945
C2	C1	Br3	123.818	C2	C1	H4	124.472
Br3	C1	H4	111.710	H5	C2	H6	117.791

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

using model chemistry: BLYP/6-31+G**

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	-0.094
2	C	-0.224
3	Br	-0.130
4	H	0.155
5	H	0.144
6	H	0.149

	x	y	z	Total
	0.236	-1.444	0.000	1.464
CHELPG
AIM
ESP

	x	y	z
x	5.950	0.679	0.000
y	0.679	9.690	0.001
z	0.000	0.001	4.656

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/6-31+G**

States and conformations

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