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	hartrees
Energy at 0K	-5224.772636
Energy at 298.15K	-5224.780154
HF Energy	-5224.772636
Nuclear repulsion energy	425.093213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3135	0.09
2	A₁	1591	1582	40.05
3	A₁	1119	1112	0.89
4	A₁	578	575	8.96
5	A₁	103	103	0.01
6	A₂	827	822	0.00
7	A₂	370	367	0.00
8	B₁	650	647	60.23
9	B₂	3131	3113	15.47
10	B₂	1215	1208	39.16
11	B₂	739	734	70.46
12	B₂	464	462	2.86

Atom	y (Å)	z (Å)
C1	0.672	1.255
C2	-0.672	1.255
Br3	1.772	-0.278
Br4	-1.772	-0.278
H5	1.231	2.201
H6	-1.231	2.201

	C1	C2	Br3	Br4	H5	H6
C1		1.3431	1.8866	2.8841	1.0994	2.1247
C2	1.3431		2.8841	1.8866	2.1247	1.0994
Br3	1.8866	2.8841		3.5433	2.5377	3.8936
Br4	2.8841	1.8866	3.5433		3.8936	2.5377
H5	1.0994	2.1247	2.5377	3.8936		2.4611
H6	2.1247	1.0994	3.8936	2.5377	2.4611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.669	C1	C2	H6	120.561
C2	C1	Br3	125.669	C2	C1	H5	120.561
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: PBEPBEultrafine/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	0.071
6	H	0.071

	x	y	z	Total
	0.000	0.000	1.443	1.443
CHELPG
AIM
ESP

<r²>	291.189
(<r²>)^1/2	17.064