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	hartrees
Energy at 0K	-5222.386909
Energy at 298.15K	-5222.381334
HF Energy	-5216.643197
Nuclear repulsion energy	429.915551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3436	3238	2.05
2	A₁	1813	1708	29.52
3	A₁	1296	1221	3.55
4	A₁	617	582	11.75
5	A₁	123	116	0.09
6	A₂	1061	999	0.00
7	A₂	418	394	0.00
8	B₁	789	743	63.43
9	B₂	3412	3215	13.58
10	B₂	1413	1331	61.06
11	B₂	816	769	62.19
12	B₂	505	476	5.10

Atom	y (Å)	z (Å)
C1	0.667	1.271
C2	-0.667	1.271
Br3	1.727	-0.281
Br4	-1.727	-0.281
H5	1.227	2.199
H6	-1.227	2.199

	C1	C2	Br3	Br4	H5	H6
C1		1.3348	1.8786	2.8528	1.0838	2.1093
C2	1.3348		2.8528	1.8786	2.1093	1.0838
Br3	1.8786	2.8528		3.4532	2.5298	3.8563
Br4	2.8528	1.8786	3.4532		3.8563	2.5298
H5	1.0838	2.1093	2.5298	3.8563		2.4531
H6	2.1093	1.0838	3.8563	2.5298	2.4531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.579	C1	C2	H6	120.681
C2	C1	Br3	125.579	C2	C1	H5	120.681
Br3	C1	H5	113.739	Br4	C2	H6	113.739

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

using model chemistry: G2

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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