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	hartrees
Energy at 0K	-8224.630996
Energy at 298.15K	-8224.639249
HF Energy	-8224.630996
Nuclear repulsion energy	1107.561657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	662	653	194.08
2	A₁	311	307	0.03
3	A₁	200	197	0.82
4	E	590	581	173.90
4	E	590	581	173.87
5	E	207	204	1.86
5	E	207	204	1.86
6	E	136	134	0.06
6	E	136	134	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.311
Cl2	0.000	0.000	2.092
Br3	0.000	1.865	-0.357
Br4	1.615	-0.932	-0.357
Br5	-1.615	-0.932	-0.357

	C1	Cl2	Br3	Br4	Br5
C1		1.7811	1.9808	1.9808	1.9808
Cl2	1.7811		3.0780	3.0780	3.0780
Br3	1.9808	3.0780		3.2301	3.2301
Br4	1.9808	3.0780	3.2301		3.2301
Br5	1.9808	3.0780	3.2301	3.2301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.695	Cl2	C1	Br4	109.695
Cl2	C1	Br5	109.695	Br3	C1	Br4	109.247
Br3	C1	Br5	109.247	Br4	C1	Br5	109.247

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: B97D3/6-311G**

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	-0.448
2	Cl	0.100
3	Br	0.116
4	Br	0.116
5	Br	0.116

	x	y	z	Total
	0.000	0.000	-0.100	0.100
CHELPG
AIM
ESP

<r²>	498.042
(<r²>)^1/2	22.317

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)