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	hartrees
Energy at 0K	-5224.700351
Energy at 298.15K	-5224.707963
HF Energy	-5224.524245
Nuclear repulsion energy	425.558006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3112	0.38
2	A₁	1638	1569	33.29
3	A₁	1174	1124	1.58
4	A₁	592	567	8.76
5	A₁	108	104	0.03
6	A₂	886	849	0.00
7	A₂	380	364	0.00
8	B₁	686	657	58.45
9	B₂	3227	3090	15.95
10	B₂	1278	1224	45.54
11	B₂	764	732	63.41
12	B₂	476	456	2.63

Atom	y (Å)	z (Å)
C1	0.669	1.252
C2	-0.669	1.252
Br3	1.771	-0.277
Br4	-1.771	-0.277
H5	1.219	2.194
H6	-1.219	2.194

	C1	C2	Br3	Br4	H5	H6
C1		1.3375	1.8850	2.8794	1.0909	2.1099
C2	1.3375		2.8794	1.8850	2.1099	1.0909
Br3	1.8850	2.8794		3.5425	2.5318	3.8791
Br4	2.8794	1.8850	3.5425		3.8791	2.5318
H5	1.0909	2.1099	2.5318	3.8791		2.4384
H6	2.1099	1.0909	3.8791	2.5318	2.4384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.794	C1	C2	H6	120.301
C2	C1	Br3	125.794	C2	C1	H5	120.301
Br3	C1	H5	113.905	Br4	C2	H6	113.905

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

using model chemistry: B2PLYP/cc-pVDZ

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	-0.070
2	C	-0.070
3	Br	-0.001
4	Br	-0.001
5	H	0.071
6	H	0.071

	x	y	z	Total
	0.000	0.000	1.596	1.596
CHELPG
AIM
ESP

<r²>	291.053
(<r²>)^1/2	17.060