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	hartrees
Energy at 0K	-5222.610763
Energy at 298.15K	-5222.618447
HF Energy	-5221.817724
Nuclear repulsion energy	429.345677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3044	0.58
2	A₁	1672	1561	24.29
3	A₁	1204	1124	2.54
4	A₁	607	567	6.63
5	A₁	110	103	0.05
6	A₂	942	880	0.00
7	A₂	388	362	0.00
8	B₁	712	665	56.88
9	B₂	3236	3022	15.02
10	B₂	1321	1233	43.32
11	B₂	787	735	46.47
12	B₂	484	452	1.52

Atom	y (Å)	z (Å)
C1	0.663	1.243
C2	-0.663	1.243
Br3	1.755	-0.275
Br4	-1.755	-0.275
H5	1.203	2.176
H6	-1.203	2.176

	C1	C2	Br3	Br4	H5	H6
C1		1.3260	1.8696	2.8547	1.0783	2.0865
C2	1.3260		2.8547	1.8696	2.0865	1.0783
Br3	1.8696	2.8547		3.5096	2.5123	3.8415
Br4	2.8547	1.8696	3.5096		3.8415	2.5123
H5	1.0783	2.0865	2.5123	3.8415		2.4063
H6	2.0865	1.0783	3.8415	2.5123	2.4063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.730	C1	C2	H6	120.060
C2	C1	Br3	125.730	C2	C1	H5	120.060
Br3	C1	H5	114.211	Br4	C2	H6	114.211

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

using model chemistry: CCD/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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