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	hartrees
Energy at 0K	-5224.773948
Energy at 298.15K	-5224.781482
HF Energy	-5224.773948
Nuclear repulsion energy	424.690139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	3123	0.36
2	A₁	1584	1569	40.07
3	A₁	1140	1129	1.41
4	A₁	575	570	8.37
5	A₁	104	103	0.01
6	A₂	840	833	0.00
7	A₂	371	367	0.00
8	B₁	655	649	74.60
9	B₂	3130	3102	15.76
10	B₂	1236	1224	40.08
11	B₂	743	736	77.93
12	B₂	466	462	2.35

Atom	y (Å)	z (Å)
C1	0.668	1.250
C2	-0.668	1.250
Br3	1.777	-0.277
Br4	-1.777	-0.277
H5	1.224	2.188
H6	-1.224	2.188

	C1	C2	Br3	Br4	H5	H6
C1		1.3358	1.8877	2.8831	1.0903	2.1114
C2	1.3358		2.8831	1.8877	2.1114	1.0903
Br3	1.8877	2.8831		3.5548	2.5266	3.8838
Br4	2.8831	1.8877	3.5548		3.8838	2.5266
H5	1.0903	2.1114	2.5266	3.8838		2.4474
H6	2.1114	1.0903	3.8838	2.5266	2.4474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.997	C1	C2	H6	120.648
C2	C1	Br3	125.997	C2	C1	H5	120.648
Br3	C1	H5	113.354	Br4	C2	H6	113.354

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

using model chemistry: PBEPBE/6-311G**

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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Number	Element	Mulliken
1	C	-0.215
2	C	-0.215
3	Br	0.038
4	Br	0.038
5	H	0.177
6	H	0.177

	x	y	z	Total
	0.000	0.000	1.565	1.565
CHELPG
AIM
ESP

<r²>	292.585
(<r²>)^1/2	17.105