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	hartrees
Energy at 0K	-2647.424018
Energy at 298.15K	-2647.429535
HF Energy	-2647.179585
Nuclear repulsion energy	141.039186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3113	12.36
2	A'	3229	3099	0.27
3	A'	3147	3019	2.35
4	A'	1674	1606	28.27
5	A'	1463	1403	9.76
6	A'	1311	1257	31.35
7	A'	1057	1014	5.64
8	A'	567	544	13.97
9	A'	338	324	0.19
10	A"	991	951	67.12
11	A"	968	929	13.58
12	A"	603	579	14.06

Atom	x (Å)	y (Å)
C1	0.475	-1.154
C2	-0.454	-2.123
Br3	0.000	0.745
H4	1.550	-1.321
H5	-0.158	-3.174
H6	-1.523	-1.907

	C1	C2	Br3	H4	H5	H6
C1		1.3420	1.9578	1.0876	2.1167	2.1354
C2	1.3420		2.9034	2.1584	1.0923	1.0908
Br3	1.9578	2.9034		2.5825	3.9223	3.0583
H4	1.0876	2.1584	2.5825		2.5204	3.1286
H5	2.1167	1.0923	3.9223	2.5204		1.8626
H6	2.1354	1.0908	3.0583	3.1286	1.8626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.463	C1	C2	H6	122.413
C2	C1	Br3	122.141	C2	C1	H4	125.018
Br3	C1	H4	112.841	H5	C2	H6	117.124

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

using model chemistry: CCD/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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All results from a given calculation for C2H3Br (vinyl bromide)

using model chemistry: CCD/6-31G

States and conformations

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