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	hartrees
Energy at 0K	-5168.490177
Energy at 298.15K	-5168.497729
HF Energy	-5168.490177
Nuclear repulsion energy	425.212958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3461	3063	2.76
2	A₁	1774	1570	20.45
3	A₁	1285	1138	0.10
4	A₁	665	588	10.02
5	A₁	104	92	0.10
6	A₂	984	871	0.00
7	A₂	399	353	0.00
8	B₁	732	648	22.57
9	B₂	3437	3041	43.65
10	B₂	1429	1264	52.77
11	B₂	862	762	36.96
12	B₂	526	465	3.66

Atom	y (Å)	z (Å)
C1	0.672	1.238
C2	-0.672	1.238
Br3	1.779	-0.275
Br4	-1.779	-0.275
H5	1.203	2.200
H6	-1.203	2.200

	C1	C2	Br3	Br4	H5	H6
C1		1.3431	1.8749	2.8800	1.0996	2.1074
C2	1.3431		2.8800	1.8749	2.1074	1.0996
Br3	1.8749	2.8800		3.5583	2.5414	3.8758
Br4	2.8800	1.8749	3.5583		3.8758	2.5414
H5	1.0996	2.1074	2.5414	3.8758		2.4065
H6	2.1074	1.0996	3.8758	2.5414	2.4065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.209	C1	C2	H6	118.916
C2	C1	Br3	126.209	C2	C1	H5	118.916
Br3	C1	H5	114.875	Br4	C2	H6	114.875

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

using model chemistry: B3PW91/STO-3G

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	-0.154
2	C	-0.154
3	Br	0.048
4	Br	0.048
5	H	0.105
6	H	0.105

	x	y	z	Total
	0.000	0.000	1.448	1.448
CHELPG
AIM
ESP

<r²>	290.309
(<r²>)^1/2	17.038