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	hartrees
Energy at 0K	-5647.363578
Energy at 298.15K	-5647.370439
HF Energy	-5647.363578
Nuclear repulsion energy	563.475831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	3108	2.05
2	A'	1165	1161	21.20
3	A'	659	657	141.97
4	A'	525	524	16.56
5	A'	260	259	0.13
6	A'	153	152	0.07
7	A"	1116	1113	39.60
8	A"	559	557	153.85
9	A"	185	185	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.608	0.000
H2	-1.171	1.151	0.000
Cl3	1.108	1.791	0.000
Br4	-0.233	-0.504	1.638
Br5	-0.233	-0.504	-1.638

	C1	H2	Cl3	Br4	Br5
C1		1.0845	1.7886	1.9795	1.9795
H2	1.0845		2.3677	2.5103	2.5103
Cl3	1.7886	2.3677		3.1222	3.1222
Br4	1.9795	2.5103	3.1222		3.2765
Br5	1.9795	2.5103	3.1222	3.2765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.496	H2	C1	Br4	106.333
H2	C1	Br5	106.333	Cl3	C1	Br4	111.806
Cl3	C1	Br5	111.806	Br4	C1	Br5	111.708

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

using model chemistry: BLYP/cc-pVTZ

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	-0.111
2	H	0.164
3	Cl	-0.041
4	Br	-0.006
5	Br	-0.006

	x	y	z	Total
	-0.815	0.519	0.000	0.966
CHELPG
AIM
ESP

	x	y	z
x	7.291	1.681	0.000
y	1.681	9.383	0.000
z	0.000	0.000	11.737

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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