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	hartrees
Energy at 0K	-5224.772673
Energy at 298.15K	-5224.780201
HF Energy	-5224.772673
Nuclear repulsion energy	425.099926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3137	0.10
2	A₁	1594	1584	40.11
3	A₁	1119	1112	0.89
4	A₁	584	581	8.86
5	A₁	104	103	0.02
6	A₂	826	821	0.00
7	A₂	370	368	0.00
8	B₁	649	645	60.21
9	B₂	3133	3115	15.40
10	B₂	1216	1209	39.74
11	B₂	744	740	70.39
12	B₂	468	465	2.47

Atom	y (Å)	z (Å)
C1	0.672	1.254
C2	-0.672	1.254
Br3	1.772	-0.278
Br4	-1.772	-0.278
H5	1.230	2.201
H6	-1.230	2.201

	C1	C2	Br3	Br4	H5	H6
C1		1.3431	1.8864	2.8841	1.0994	2.1245
C2	1.3431		2.8841	1.8864	2.1245	1.0994
Br3	1.8864	2.8841		3.5435	2.5375	3.8934
Br4	2.8841	1.8864	3.5435		3.8934	2.5375
H5	1.0994	2.1245	2.5375	3.8934		2.4608
H6	2.1245	1.0994	3.8934	2.5375	2.4608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.677	C1	C2	H6	120.552
C2	C1	Br3	125.677	C2	C1	H5	120.552
Br3	C1	H5	113.771	Br4	C2	H6	113.771

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

using model chemistry: PBEPBE/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	-0.079
2	C	-0.079
3	Br	0.008
4	Br	0.008
5	H	0.070
6	H	0.070

	x	y	z	Total
	0.000	0.000	1.442	1.442
CHELPG
AIM
ESP

<r²>	291.202
(<r²>)^1/2	17.065