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	hartrees
Energy at 0K	-5222.620405
Energy at 298.15K	-5222.628072
HF Energy	-5221.726630
Nuclear repulsion energy	429.337794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3257	0.47
2	A₁	1658	1658	25.47
3	A₁	1198	1198	2.37
4	A₁	607	607	6.69
5	A₁	111	111	0.05
6	A₂	930	930	0.00
7	A₂	386	386	0.00
8	B₁	709	709	56.30
9	B₂	3233	3233	14.50
10	B₂	1311	1311	43.64
11	B₂	785	785	48.54
12	B₂	484	484	1.64

Atom	y (Å)	z (Å)
C1	0.664	1.246
C2	-0.664	1.246
Br3	1.753	-0.276
Br4	-1.753	-0.276
H5	1.208	2.177
H6	-1.208	2.177

	C1	C2	Br3	Br4	H5	H6
C1		1.3277	1.8714	2.8561	1.0784	2.0905
C2	1.3277		2.8561	1.8714	2.0905	1.0784
Br3	1.8714	2.8561		3.5061	2.5129	3.8450
Br4	2.8561	1.8714	3.5061		3.8450	2.5129
H5	1.0784	2.0905	2.5129	3.8450		2.4156
H6	2.0905	1.0784	3.8450	2.5129	2.4156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.592	C1	C2	H6	120.292
C2	C1	Br3	125.592	C2	C1	H5	120.292
Br3	C1	H5	114.116	Br4	C2	H6	114.116

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

using model chemistry: QCISD/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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