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	hartrees
Energy at 0K	-5217.210942
Energy at 298.15K	-5217.218588
HF Energy	-5216.642513
Nuclear repulsion energy	430.059800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3302	3098	0.48
2	A₁	1697	1593	22.47
3	A₁	1219	1144	2.20
4	A₁	594	557	9.15
5	A₁	120	112	0.05
6	A₂	920	863	0.00
7	A₂	380	357	0.00
8	B₁	720	676	61.60
9	B₂	3280	3078	13.41
10	B₂	1330	1248	36.68
11	B₂	778	730	46.80
12	B₂	477	447	3.01

Atom	y (Å)	z (Å)
C1	0.664	1.272
C2	-0.664	1.272
Br3	1.735	-0.281
Br4	-1.735	-0.281
H5	1.225	2.197
H6	-1.225	2.197

	C1	C2	Br3	Br4	H5	H6
C1		1.3282	1.8862	2.8579	1.0825	2.1039
C2	1.3282		2.8579	1.8862	2.1039	1.0825
Br3	1.8862	2.8579		3.4706	2.5302	3.8608
Br4	2.8579	1.8862	3.4706		3.8608	2.5302
H5	1.0825	2.1039	2.5302	3.8608		2.4503
H6	2.1039	1.0825	3.8608	2.5302	2.4503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.605	C1	C2	H6	121.220
C2	C1	Br3	124.605	C2	C1	H5	121.220
Br3	C1	H5	114.175	Br4	C2	H6	114.175

All results from a given calculation for CHBrCHBr (Ethene, 1,2-dibromo-, (Z)-)

using model chemistry: MP3=FULL/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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