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	hartrees
Energy at 0K	-2649.968019
Energy at 298.15K	-2649.973562
Nuclear repulsion energy	145.010929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3131	2.80
2	A'	3268	3102	4.15
3	A'	3202	3040	0.18
4	A'	1708	1621	43.65
5	A'	1426	1353	8.35
6	A'	1292	1227	27.00
7	A'	1027	975	10.92
8	A'	621	590	25.20
9	A'	350	333	0.06
10	A"	989	939	36.43
11	A"	936	889	29.14
12	A"	609	578	13.55

Atom	x (Å)	y (Å)
C1	0.459	-1.104
C2	-0.442	-2.072
Br3	0.000	0.723
H4	1.528	-1.268
H5	-0.120	-3.108
H6	-1.507	-1.874

	C1	C2	Br3	H4	H5	H6
C1		1.3226	1.8842	1.0817	2.0851	2.1109
C2	1.3226		2.8302	2.1281	1.0844	1.0829
Br3	1.8842	2.8302		2.5102	3.8326	3.0023
H4	1.0817	2.1281	2.5102		2.4694	3.0947
H5	2.0851	1.0844	3.8326	2.4694		1.8566
H6	2.1109	1.0829	3.0023	3.0947	1.8566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.728	C1	C2	H6	122.387
C2	C1	Br3	122.946	C2	C1	H4	124.238
Br3	C1	H4	112.816	H5	C2	H6	117.886

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

using model chemistry: B1B95/6-31G*

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	-0.142
2	C	-0.337
3	Br	-0.098
4	H	0.206
5	H	0.181
6	H	0.190

	x	y	z	Total
	0.243	-1.449	0.000	1.470
CHELPG
AIM
ESP

	x	y	z
x	4.901	0.559	0.000
y	0.559	8.182	0.000
z	0.000	0.000	2.852

<r²>	91.368
(<r²>)^1/2	9.559

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

using model chemistry: B1B95/6-31G*

States and conformations

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