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	hartrees
Energy at 0K	-2648.118577
Energy at 298.15K	-2648.124188
HF Energy	-2647.529787
Nuclear repulsion energy	146.522943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3123	1.56
2	A'	3277	3086	4.27
3	A'	3218	3030	0.02
4	A'	1693	1594	28.42
5	A'	1441	1357	7.30
6	A'	1321	1243	18.95
7	A'	1055	993	7.10
8	A'	667	628	15.54
9	A'	359	338	0.06
10	A"	1007	948	29.30
11	A"	957	902	20.00
12	A"	619	583	11.39

Atom	x (Å)	y (Å)
C1	0.461	-1.079
C2	-0.444	-2.046
Br3	0.000	0.712
H4	1.528	-1.242
H5	-0.126	-3.080
H6	-1.506	-1.848

	C1	C2	Br3	H4	H5	H6
C1		1.3241	1.8498	1.0792	2.0852	2.1117
C2	1.3241		2.7936	2.1294	1.0822	1.0803
Br3	1.8498	2.7936		2.4805	3.7945	2.9701
H4	1.0792	2.1294	2.4805		2.4726	3.0937
H5	2.0852	1.0822	3.7945	2.4726		1.8504
H6	2.1117	1.0803	2.9701	3.0937	1.8504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.788	C1	C2	H6	122.544
C2	C1	Br3	122.460	C2	C1	H4	124.444
Br3	C1	H4	113.097	H5	C2	H6	117.668

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

States and conformations

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