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	hartrees
Energy at 0K	-2650.944325
Energy at 298.15K	-2650.949787
HF Energy	-2650.944325
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3144	6.06
2	A'	3176	3114	5.24
3	A'	3115	3054	1.35
4	A'	1638	1606	47.42
5	A'	1394	1367	9.72
6	A'	1263	1238	29.36
7	A'	1003	984	10.85
8	A'	579	568	28.17
9	A'	344	337	0.23
10	A"	946	927	38.22
11	A"	873	856	24.26
12	A"	583	572	12.71

Atom	x (Å)	y (Å)
C1	0.464	-1.122
C2	-0.447	-2.096
Br3	0.000	0.732
H4	1.540	-1.280
H5	-0.121	-3.137
H6	-1.518	-1.898

	C1	C2	Br3	H4	H5	H6
C1		1.3336	1.9108	1.0881	2.0988	2.1282
C2	1.3336		2.8632	2.1484	1.0914	1.0892
Br3	1.9108	2.8632		2.5335	3.8714	3.0365
H4	1.0881	2.1484	2.5335		2.4923	3.1201
H5	2.0988	1.0914	3.8714	2.4923		1.8678
H6	2.1282	1.0892	3.0365	3.1201	1.8678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.682	C1	C2	H6	122.750
C2	C1	Br3	123.125	C2	C1	H4	124.545
Br3	C1	H4	112.330	H5	C2	H6	117.568

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

using model chemistry: B97D3/6-31G*

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	-0.115
2	C	-0.317
3	Br	-0.097
4	H	0.187
5	H	0.167
6	H	0.176

	x	y	z	Total
	0.249	-1.417	0.000	1.438
CHELPG
AIM
ESP

	x	y	z
x	4.981	0.553	0.000
y	0.553	8.490	0.000
z	0.000	0.000	2.877

<r²>	93.029
(<r²>)^1/2	9.645

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

using model chemistry: B97D3/6-31G*

States and conformations

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