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	hartrees
Energy at 0K	-8220.821020
Energy at 298.15K	-8220.829567
HF Energy	-8220.821020
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	762	726	132.81
2	A₁	340	324	0.00
3	A₁	217	207	0.14
4	E	710	676	124.32
4	E	710	676	124.82
5	E	222	211	0.05
5	E	222	211	0.05
6	E	145	138	0.01
6	E	145	138	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.294
Cl2	0.000	0.000	2.073
Br3	0.000	1.835	-0.352
Br4	1.589	-0.918	-0.352
Br5	-1.589	-0.918	-0.352

	C1	Cl2	Br3	Br4	Br5
C1		1.7786	1.9456	1.9456	1.9456
Cl2	1.7786		3.0413	3.0413	3.0413
Br3	1.9456	3.0413		3.1783	3.1783
Br4	1.9456	3.0413	3.1783		3.1783
Br5	1.9456	3.0413	3.1783	3.1783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.415	Cl2	C1	Br4	109.415
Cl2	C1	Br5	109.415	Br3	C1	Br4	109.528
Br3	C1	Br5	109.528	Br4	C1	Br5	109.528

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.379
2	Cl	0.065
3	Br	0.105
4	Br	0.105
5	Br	0.105

	x	y	z	Total
	0.000	0.000	-0.233	0.233
CHELPG
AIM
ESP

	x	y	z
x	10.175	0.000	0.000
y	0.000	10.171	-0.000
z	0.000	-0.000	8.972

<r²>	484.352
(<r²>)^1/2	22.008

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)