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	hartrees
Energy at 0K	-3948.893982
Energy at 298.15K	-3948.896724
HF Energy	-3948.893982
Nuclear repulsion energy	590.418647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	776	718	209.20
2	A₁	394	365	0.03
3	A₁	235	217	1.26
4	E	756	700	183.98
4	E	756	700	183.97
5	E	267	247	0.36
5	E	267	247	0.36
6	E	172	159	0.02
6	E	172	159	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.361
Br2	0.000	0.000	1.587
Cl3	0.000	1.766	-1.047
Cl4	1.529	-0.883	-1.047
Cl5	-1.529	-0.883	-1.047

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9487	1.8940	1.8940	1.8940
Br2	1.9487		3.1712	3.1712	3.1712
Cl3	1.8940	3.1712		3.0580	3.0580
Cl4	1.8940	3.1712	3.0580		3.0580
Cl5	1.8940	3.1712	3.0580	3.0580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.220	Br2	C1	Cl4	111.220
Br2	C1	Cl5	111.220	Cl3	C1	Cl4	107.667
Cl3	C1	Cl5	107.667	Cl4	C1	Cl5	107.667

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)

using model chemistry: BLYP/STO-3G

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	0.030
2	Br	0.162
3	Cl	-0.064
4	Cl	-0.064
5	Cl	-0.064

	x	y	z	Total
	0.000	0.000	1.697	1.697
CHELPG
AIM
ESP

<r²>	339.773
(<r²>)^1/2	18.433

All results from a given calculation for CBrCl3 (Methane, bromotrichloro-)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)