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	hartrees
Energy at 0K	-5620.681113
Energy at 298.15K	-5620.688281
HF Energy	-5620.681113
Nuclear repulsion energy	576.292560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3083	1.83
2	A'	1269	1202	18.47
3	A'	768	728	111.99
4	A'	607	575	1.70
5	A'	290	274	0.18
6	A'	175	166	0.02
7	A"	1230	1165	32.87
8	A"	759	719	84.15
9	A"	205	194	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	0.612	0.000
H2	-1.150	1.206	0.000
Cl3	1.151	1.727	0.000
Br4	-0.242	-0.489	1.590
Br5	-0.242	-0.489	-1.590

	C1	H2	Cl3	Br4	Br5
C1		1.0848	1.7842	1.9337	1.9337
H2	1.0848		2.3590	2.4948	2.4948
Cl3	1.7842	2.3590		3.0624	3.0624
Br4	1.9337	2.4948	3.0624		3.1794
Br5	1.9337	2.4948	3.0624	3.1794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.131	H2	C1	Br4	108.161
H2	C1	Br5	108.161	Cl3	C1	Br4	110.843
Cl3	C1	Br5	110.843	Br4	C1	Br5	110.589

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)

using model chemistry: M06-2X/3-21G*

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	-0.464
2	H	0.324
3	Cl	0.050
4	Br	0.045
5	Br	0.045

	x	y	z	Total
	-1.137	0.185	0.000	1.152
CHELPG
AIM
ESP

	x	y	z
x	5.662	1.462	0.000
y	1.462	7.173	0.000
z	0.000	0.000	8.880

<r²>	310.267
(<r²>)^1/2	17.614

All results from a given calculation for CHClBr2 (Methane, dibromochloro-)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)