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	hartrees
Energy at 0K	-3994.218282
Energy at 298.15K	-3994.221301
HF Energy	-3994.218282
Nuclear repulsion energy	608.763182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	683	673	223.58
2	A'	631	622	215.66
3	A'	400	394	0.06
4	A'	290	286	1.65
5	A'	232	229	3.14
6	A'	187	185	0.01
7	A"	682	672	223.67
8	A"	290	286	1.60
9	A"	187	184	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.432	0.000	0.000
Br2	-1.561	-0.000	0.000
Cl3	1.020	1.692	0.000
Cl4	1.020	-0.846	1.465
Cl5	1.020	-0.846	-1.465

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9928	1.7912	1.7915	1.7915
Br2	1.9928		3.0864	3.0862	3.0862
Cl3	1.7912	3.0864		2.9305	2.9305
Cl4	1.7915	3.0862	2.9305		2.9310
Cl5	1.7915	3.0862	2.9305	2.9310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.382	Br2	C1	Cl4	109.373
Br2	C1	Cl5	109.373	Cl3	C1	Cl4	109.565
Cl3	C1	Cl5	109.565	Cl4	C1	Cl5	109.569

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

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	-0.405
2	Br	0.116
3	Cl	0.097
4	Cl	0.096
5	Cl	0.096

	x	y	z	Total
	-0.105	0.002	0.000	0.105
CHELPG
AIM
ESP

	x	y	z
x	9.739	0.001	0.000
y	0.001	8.528	0.000
z	0.000	0.000	8.529

<r²>	323.505
(<r²>)^1/2	17.986

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

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

States and conformations

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