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	hartrees
Energy at 0K	-2652.429294
Energy at 298.15K	-2652.434826
Nuclear repulsion energy	144.587370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3152	0.92
2	A'	3237	3112	3.67
3	A'	3171	3048	0.00
4	A'	1685	1620	49.90
5	A'	1375	1322	7.69
6	A'	1259	1210	24.40
7	A'	1002	963	11.60
8	A'	622	598	24.93
9	A'	345	331	0.07
10	A"	970	932	34.63
11	A"	917	881	22.01
12	A"	597	574	13.92

Atom	x (Å)	y (Å)
C1	0.457	-1.106
C2	-0.442	-2.081
Br3	0.000	0.725
H4	1.534	-1.268
H5	-0.103	-3.118
H6	-1.515	-1.886

	C1	C2	Br3	H4	H5	H6
C1		1.3264	1.8872	1.0895	2.0890	2.1200
C2	1.3264		2.8410	2.1372	1.0913	1.0897
Br3	1.8872	2.8410		2.5150	3.8451	3.0189
H4	1.0895	2.1372	2.5150		2.4710	3.1107
H5	2.0890	1.0913	3.8451	2.4710		1.8735
H6	2.1200	1.0897	3.0189	3.1107	1.8735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.230	C1	C2	H6	122.370
C2	C1	Br3	123.331	C2	C1	H4	124.125
Br3	C1	H4	112.544	H5	C2	H6	118.400

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

using model chemistry: B1B95/cc-pVDZ

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	-0.162
2	C	0.041
3	Br	-0.041
4	H	0.065
5	H	0.050
6	H	0.048

	x	y	z	Total
	0.234	-1.345	0.000	1.365
CHELPG
AIM
ESP

	x	y	z
x	4.824	0.527	0.000
y	0.527	8.386	0.000
z	0.000	0.000	2.694

<r²>	92.010
(<r²>)^1/2	9.592

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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