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	hartrees
Energy at 0K	-5226.075695
Energy at 298.15K	-5226.083345
HF Energy	-5226.075695
Nuclear repulsion energy	428.425552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3099	0.00
2	A₁	1660	1583	37.43
3	A₁	1191	1137	1.00
4	A₁	597	569	9.16
5	A₁	107	102	0.03
6	A₂	917	875	0.00
7	A₂	390	372	0.00
8	B₁	698	666	74.14
9	B₂	3227	3078	17.98
10	B₂	1293	1233	45.58
11	B₂	774	739	72.38
12	B₂	483	460	2.44

Atom	y (Å)	z (Å)
C1	0.661	1.243
C2	-0.661	1.243
Br3	1.760	-0.275
Br4	-1.760	-0.275
H5	1.210	2.174
H6	-1.210	2.174

	C1	C2	Br3	Br4	H5	H6
C1		1.3211	1.8748	2.8575	1.0808	2.0895
C2	1.3211		2.8575	1.8748	2.0895	1.0808
Br3	1.8748	2.8575		3.5199	2.5101	3.8497
Br4	2.8575	1.8748	3.5199		3.8497	2.5101
H5	1.0808	2.0895	2.5101	3.8497		2.4205
H6	2.0895	1.0808	3.8497	2.5101	2.4205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.903	C1	C2	H6	120.573
C2	C1	Br3	125.903	C2	C1	H5	120.573
Br3	C1	H5	113.524	Br4	C2	H6	113.524

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

using model chemistry: mPW1PW91/TZVP

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	-0.137
2	C	-0.137
3	Br	-0.045
4	Br	-0.045
5	H	0.182
6	H	0.182

	x	y	z	Total
	0.000	0.000	1.702	1.702
CHELPG
AIM
ESP

<r²>	287.662
(<r²>)^1/2	16.961