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	hartrees
Energy at 0K	-5222.773669
Energy at 298.15K	-5222.781373
HF Energy	-5221.726876
Nuclear repulsion energy	430.447164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3288	3288	0.11
2	A₁	1678	1678	25.56
3	A₁	1213	1213	2.35
4	A₁	613	613	6.47
5	A₁	112	112	0.05
6	A₂	957	957	0.00
7	A₂	394	394	0.00
8	B₁	724	724	57.61
9	B₂	3263	3263	15.55
10	B₂	1328	1328	41.34
11	B₂	795	795	48.11
12	B₂	490	490	1.62

Atom	y (Å)	z (Å)
C1	0.661	1.243
C2	-0.661	1.243
Br3	1.749	-0.275
Br4	-1.749	-0.275
H5	1.203	2.171
H6	-1.203	2.171

	C1	C2	Br3	Br4	H5	H6
C1		1.3229	1.8674	2.8484	1.0739	2.0823
C2	1.3229		2.8484	1.8674	2.0823	1.0739
Br3	1.8674	2.8484		3.4970	2.5058	3.8331
Br4	2.8484	1.8674	3.4970		3.8331	2.5058
H5	1.0739	2.0823	2.5058	3.8331		2.4060
H6	2.0823	1.0739	3.8331	2.5058	2.4060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.601	C1	C2	H6	120.287
C2	C1	Br3	125.601	C2	C1	H5	120.287
Br3	C1	H5	114.112	Br4	C2	H6	114.112

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

using model chemistry: MP3=FULL/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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