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	hartrees
Energy at 0K	-2650.501833
Energy at 298.15K	-2650.507402
HF Energy	-2649.898893
Nuclear repulsion energy	145.343687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3141	0.60
2	A'	3255	3097	4.16
3	A'	3195	3040	0.03
4	A'	1650	1570	42.43
5	A'	1419	1350	10.44
6	A'	1295	1233	21.02
7	A'	1028	979	8.50
8	A'	644	613	19.18
9	A'	351	334	0.02
10	A"	991	942	36.08
11	A"	921	876	26.14
12	A"	609	580	15.37

Atom	x (Å)	y (Å)
C1	0.460	-1.097
C2	-0.444	-2.069
Br3	0.000	0.721
H4	1.527	-1.260
H5	-0.117	-3.099
H6	-1.505	-1.871

	C1	C2	Br3	H4	H5	H6
C1		1.3277	1.8757	1.0786	2.0833	2.1125
C2	1.3277		2.8252	2.1306	1.0809	1.0793
Br3	1.8757	2.8252		2.5008	3.8219	2.9974
H4	1.0786	2.1306	2.5008		2.4665	3.0930
H5	2.0833	1.0809	3.8219	2.4665		1.8539
H6	2.1125	1.0793	2.9974	3.0930	1.8539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.400	C1	C2	H6	122.380
C2	C1	Br3	122.837	C2	C1	H4	124.289
Br3	C1	H4	112.874	H5	C2	H6	118.221

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

using model chemistry: MP2/Def2TZVPP

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: MP2/Def2TZVPP

States and conformations

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