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	hartrees
Energy at 0K	-5200.598132
Energy at 298.15K	-5200.605889
HF Energy	-5200.598132
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3294	3294	0.01
2	A₁	1720	1720	28.30
3	A₁	1238	1238	1.18
4	A₁	597	597	8.86
5	A₁	116	116	0.02
6	A₂	1038	1038	0.00
7	A₂	419	419	0.00
8	B₁	763	763	101.82
9	B₂	3268	3268	14.95
10	B₂	1350	1350	47.43
11	B₂	780	780	60.69
12	B₂	496	496	2.35

Atom	y (Å)	z (Å)
C1	0.658	1.270
C2	-0.658	1.270
Br3	1.768	-0.281
Br4	-1.768	-0.281
H5	1.212	2.198
H6	-1.212	2.198

	C1	C2	Br3	Br4	H5	H6
C1		1.3163	1.9071	2.8797	1.0805	2.0875
C2	1.3163		2.8797	1.9071	2.0875	1.0805
Br3	1.9071	2.8797		3.5367	2.5403	3.8761
Br4	2.8797	1.9071	3.5367		3.8761	2.5403
H5	1.0805	2.0875	2.5403	3.8761		2.4235
H6	2.0875	1.0805	3.8761	2.5403	2.4235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.599	C1	C2	H6	120.820
C2	C1	Br3	125.599	C2	C1	H5	120.820
Br3	C1	H5	113.581	Br4	C2	H6	113.581

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

using model chemistry: wB97X-D/3-21G

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	-0.480
2	C	-0.480
3	Br	0.192
4	Br	0.192
5	H	0.288
6	H	0.288

	x	y	z	Total
	0.000	0.000	1.745	1.745
CHELPG
AIM
ESP

<r²>	290.660
(<r²>)^1/2	17.049