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	hartrees
Energy at 0K	-2649.542511
Energy at 298.15K	-2649.548034
Nuclear repulsion energy	141.968586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3153	7.35
2	A'	3263	3139	0.93
3	A'	3176	3055	0.45
4	A'	1687	1623	45.84
5	A'	1450	1395	9.22
6	A'	1298	1249	37.53
7	A'	1043	1003	10.66
8	A'	560	538	28.33
9	A'	340	327	0.55
10	A"	995	957	82.71
11	A"	984	947	8.86
12	A"	616	593	17.51

Atom	x (Å)	y (Å)
C1	0.471	-1.151
C2	-0.451	-2.106
Br3	0.000	0.740
H4	1.542	-1.306
H5	-0.151	-3.151
H6	-1.514	-1.893

	C1	C2	Br3	H4	H5	H6
C1		1.3275	1.9488	1.0816	2.0940	2.1188
C2	1.3275		2.8818	2.1472	1.0864	1.0842
Br3	1.9488	2.8818		2.5613	3.8935	3.0367
H4	1.0816	2.1472	2.5613		2.5037	3.1111
H5	2.0940	1.0864	3.8935	2.5037		1.8547
H6	2.1188	1.0842	3.0367	3.1111	1.8547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.001	C1	C2	H6	122.607
C2	C1	Br3	122.033	C2	C1	H4	125.769
Br3	C1	H4	112.198	H5	C2	H6	117.391

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

using model chemistry: B3LYP/6-31G

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	-0.357
2	C	-0.212
3	Br	0.066
4	H	0.190
5	H	0.154
6	H	0.160

	x	y	z	Total
	0.249	-1.716	0.000	1.734
CHELPG
AIM
ESP

	x	y	z
x	4.082	0.424	0.000
y	0.424	8.038	0.000
z	0.000	0.000	1.609

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-31G

States and conformations

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