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	hartrees
Energy at 0K	-5224.882280
Energy at 298.15K
HF Energy	-5224.595369
Nuclear repulsion energy	425.943365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3250	0.18
2	A₁	1630	1630	34.81
3	A₁	1198	1198	1.63
4	A₁	578	578	8.91
5	A₁	108	108	0.03
6	A₂	885	885	0.00
7	A₂	378	378	0.00
8	B₁	692	692	71.47
9	B₂	3229	3229	16.77
10	B₂	1299	1299	49.31
11	B₂	761	761	67.59
12	B₂	471	471	3.17

Atom	y (Å)	z (Å)
C1	0.662	1.251
C2	-0.662	1.251
Br3	1.771	-0.277
Br4	-1.771	-0.277
H5	1.211	2.180
H6	-1.211	2.180

	C1	C2	Br3	Br4	H5	H6
C1		1.3250	1.8873	2.8731	1.0792	2.0915
C2	1.3250		2.8731	1.8873	2.0915	1.0792
Br3	1.8873	2.8731		3.5419	2.5196	3.8639
Br4	2.8731	1.8873	3.5419		3.8639	2.5196
H5	1.0792	2.0915	2.5196	3.8639		2.4226
H6	2.0915	1.0792	3.8639	2.5196	2.4226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.968	C1	C2	H6	120.569
C2	C1	Br3	125.968	C2	C1	H5	120.569
Br3	C1	H5	113.464	Br4	C2	H6	113.464

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

using model chemistry: B2PLYP=FULLultrafine/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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