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	hartrees
Energy at 0K	-5647.219614
Energy at 298.15K	-5647.226622
HF Energy	-5647.219614
Nuclear repulsion energy	568.742052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3090	1.23
2	A'	1190	1154	24.00
3	A'	720	699	143.59
4	A'	556	539	9.83
5	A'	275	267	0.07
6	A'	164	159	0.01
7	A"	1147	1113	42.48
8	A"	629	610	141.60
9	A"	197	191	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.601	0.000
H2	-1.172	1.158	0.000
Cl3	1.109	1.773	0.000
Br4	-0.233	-0.499	1.621
Br5	-0.233	-0.499	-1.621

	C1	H2	Cl3	Br4	Br5
C1		1.0922	1.7817	1.9581	1.9581
H2	1.0922		2.3626	2.5004	2.5004
Cl3	1.7817	2.3626		3.0960	3.0960
Br4	1.9581	2.5004	3.0960		3.2410
Br5	1.9581	2.5004	3.0960	3.2410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.187	H2	C1	Br4	106.642
H2	C1	Br5	106.642	Cl3	C1	Br4	111.669
Cl3	C1	Br5	111.669	Br4	C1	Br5	111.707

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

using model chemistry: B3LYP/cc-pVDZ

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	-0.199
2	H	0.148
3	Cl	-0.000
4	Br	0.026
5	Br	0.026

	x	y	z	Total
	-0.908	0.435	0.000	1.007
CHELPG
AIM
ESP

	x	y	z
x	5.627	1.544	0.000
y	1.544	7.516	0.000
z	0.000	0.000	9.547

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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