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	hartrees
Energy at 0K	-5224.891326
Energy at 298.15K	-5224.898959
HF Energy	-5224.607350
Nuclear repulsion energy	428.156685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3243	0.11
2	A₁	1625	1625	31.46
3	A₁	1187	1187	1.84
4	A₁	594	594	7.54
5	A₁	108	108	0.04
6	A₂	911	911	0.00
7	A₂	386	386	0.00
8	B₁	695	695	59.50
9	B₂	3221	3221	16.18
10	B₂	1295	1295	45.40
11	B₂	770	770	59.62
12	B₂	479	479	2.55

Atom	y (Å)	z (Å)
C1	0.663	1.246
C2	-0.663	1.246
Br3	1.760	-0.276
Br4	-1.760	-0.276
H5	1.209	2.176
H6	-1.209	2.176

	C1	C2	Br3	Br4	H5	H6
C1		1.3262	1.8762	2.8615	1.0785	2.0906
C2	1.3262		2.8615	1.8762	2.0906	1.0785
Br3	1.8762	2.8615		3.5201	2.5131	3.8509
Br4	2.8615	1.8762	3.5201		3.8509	2.5131
H5	1.0785	2.0906	2.5131	3.8509		2.4186
H6	2.0906	1.0785	3.8509	2.5131	2.4186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.780	C1	C2	H6	120.429
C2	C1	Br3	125.780	C2	C1	H5	120.429
Br3	C1	H5	113.792	Br4	C2	H6	113.792

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

using model chemistry: B2PLYP/Def2TZVPP

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	-0.112
2	C	-0.112
3	Br	-0.012
4	Br	-0.012
5	H	0.124
6	H	0.124

	x	y	z	Total
	0.000	0.000	1.670	1.670
CHELPG
AIM
ESP

<r²>	288.141
(<r²>)^1/2	16.975