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	hartrees
Energy at 0K	-5226.482357
Energy at 298.15K	-5226.490018
HF Energy	-5226.482357
Nuclear repulsion energy	431.798016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3111	0.01
2	A₁	1657	1588	33.32
3	A₁	1173	1124	1.45
4	A₁	607	582	7.66
5	A₁	112	107	0.04
6	A₂	915	877	0.00
7	A₂	388	372	0.00
8	B₁	692	664	56.45
9	B₂	3223	3090	17.04
10	B₂	1284	1230	44.06
11	B₂	775	743	60.08
12	B₂	483	463	2.17

Atom	y (Å)	z (Å)
C1	0.660	1.245
C2	-0.660	1.245
Br3	1.740	-0.275
Br4	-1.740	-0.275
H5	1.210	2.172
H6	-1.210	2.172

	C1	C2	Br3	Br4	H5	H6
C1		1.3193	1.8649	2.8404	1.0778	2.0865
C2	1.3193		2.8404	1.8649	2.0865	1.0778
Br3	1.8649	2.8404		3.4791	2.5041	3.8325
Br4	2.8404	1.8649	3.4791		3.8325	2.5041
H5	1.0778	2.0865	2.5041	3.8325		2.4194
H6	2.0865	1.0778	3.8325	2.5041	2.4194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.384	C1	C2	H6	120.685
C2	C1	Br3	125.384	C2	C1	H5	120.685
Br3	C1	H5	113.930	Br4	C2	H6	113.930

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

using model chemistry: B1B95/aug-cc-pVTZ

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	-0.469
2	C	-0.469
3	Br	0.091
4	Br	0.091
5	H	0.379
6	H	0.379

	x	y	z	Total
	0.000	0.000	1.641	1.641
CHELPG
AIM
ESP

<r²>	282.720
(<r²>)^1/2	16.814