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	hartrees
Energy at 0K	-5642.278502
Energy at 298.15K	-5642.285371
HF Energy	-5642.278502
Nuclear repulsion energy	563.460473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3127	3103	0.62
2	A'	1168	1159	27.32
3	A'	664	659	154.82
4	A'	529	524	15.72
5	A'	262	260	0.11
6	A'	159	158	0.04
7	A"	1110	1102	42.81
8	A"	568	564	154.50
9	A"	189	187	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.618	0.000
H2	-1.178	1.167	0.000
Cl3	1.123	1.794	0.000
Br4	-0.236	-0.505	1.632
Br5	-0.236	-0.505	-1.632

	C1	H2	Cl3	Br4	Br5
C1		1.0905	1.7968	1.9809	1.9809
H2	1.0905		2.3841	2.5194	2.5194
Cl3	1.7968	2.3841		3.1294	3.1294
Br4	1.9809	2.5194	3.1294		3.2639
Br5	1.9809	2.5194	3.1294	3.2639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.848	H2	C1	Br4	106.601
H2	C1	Br5	106.601	Cl3	C1	Br4	111.776
Cl3	C1	Br5	111.776	Br4	C1	Br5	110.945

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

using model chemistry: BLYP/6-31G**

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	-0.209
2	H	0.213
3	Cl	0.043
4	Br	-0.024
5	Br	-0.024

	x	y	z	Total
	-0.942	0.439	0.000	1.039
CHELPG
AIM
ESP

	x	y	z
x	6.406	1.630	0.000
y	1.630	8.258	0.000
z	0.000	0.000	10.267

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/6-31G**

States and conformations

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