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	hartrees
Energy at 0K	-6101.630279
Energy at 298.15K	-6101.636027
HF Energy	-6101.630279
Nuclear repulsion energy	843.366586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	700	671	171.65
2	A₁	377	362	0.39
3	A₁	239	229	0.27
4	A₁	155	148	0.01
5	A₂	174	167	0.00
6	B₁	650	624	163.31
7	B₁	228	218	0.35
8	B₂	740	710	172.81
9	B₂	261	250	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.414
Cl2	0.000	1.460	1.429
Cl3	0.000	-1.460	1.429
Br4	1.589	0.000	-0.729
Br5	-1.589	0.000	-0.729

	C1	Cl2	Cl3	Br4	Br5
C1		1.7781	1.7781	1.9573	1.9573
Cl2	1.7781		2.9208	3.0517	3.0517
Cl3	1.7781	2.9208		3.0517	3.0517
Br4	1.9573	3.0517	3.0517		3.1770
Br5	1.9573	3.0517	3.0517	3.1770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	110.435	Cl2	C1	Br4	109.469
Cl2	C1	Br5	109.469	Cl3	C1	Br4	109.469
Cl3	C1	Br5	109.469	Br4	C1	Br5	108.501

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: TPSSh/6-31G*

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	-0.292
2	Cl	0.111
3	Cl	0.111
4	Br	0.035
5	Br	0.035

	x	y	z	Total
	0.000	0.000	-0.186	0.186
CHELPG
AIM
ESP

<r²>	397.605
(<r²>)^1/2	19.940

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)