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	hartrees
Energy at 0K	-2649.717672
Energy at 298.15K	-2649.723198
Nuclear repulsion energy	143.768576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3141	2.66
2	A'	3230	3115	3.69
3	A'	3162	3049	0.06
4	A'	1667	1608	57.80
5	A'	1409	1358	11.04
6	A'	1287	1241	27.42
7	A'	1022	985	13.38
8	A'	595	574	29.61
9	A'	344	331	0.03
10	A"	974	939	46.04
11	A"	935	902	28.29
12	A"	608	586	20.60

Atom	x (Å)	y (Å)
C1	0.455	-1.116
C2	-0.441	-2.097
Br3	0.000	0.731
H4	1.527	-1.271
H5	-0.099	-3.128
H6	-1.510	-1.915

	C1	C2	Br3	H4	H5	H6
C1		1.3281	1.9024	1.0833	2.0871	2.1208
C2	1.3281		2.8624	2.1342	1.0864	1.0848
Br3	1.9024	2.8624		2.5177	3.8608	3.0464
H4	1.0833	2.1342	2.5177		2.4689	3.1045
H5	2.0871	1.0864	3.8608	2.4689		1.8612
H6	2.1208	1.0848	3.0464	3.1045	1.8612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.284	C1	C2	H6	122.706
C2	C1	Br3	123.784	C2	C1	H4	124.190
Br3	C1	H4	112.026	H5	C2	H6	118.009

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

using model chemistry: B3LYP/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	-0.112
2	C	-0.216
3	Br	-0.144
4	H	0.165
5	H	0.150
6	H	0.157

	x	y	z	Total
	0.242	-1.509	0.000	1.528
CHELPG
AIM
ESP

	x	y	z
x	5.719	0.684	0.000
y	0.684	9.243	0.000
z	0.000	0.000	4.449

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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