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	hartrees
Energy at 0K	-5642.316252
Energy at 298.15K	-5642.323137
HF Energy	-5642.316252
Nuclear repulsion energy	565.957244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3128	3112	3.35
2	A'	1174	1168	28.67
3	A'	661	657	153.66
4	A'	534	531	19.09
5	A'	264	262	0.05
6	A'	159	159	0.04
7	A"	1120	1114	47.49
8	A"	567	564	157.95
9	A"	191	190	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	0.636	0.000
H2	-1.172	1.206	0.000
Cl3	1.149	1.773	0.000
Br4	-0.242	-0.502	1.618
Br5	-0.242	-0.502	-1.618

	C1	H2	Cl3	Br4	Br5
C1		1.0909	1.7967	1.9779	1.9779
H2	1.0909		2.3890	2.5297	2.5297
Cl3	1.7967	2.3890		3.1193	3.1193
Br4	1.9779	2.5297	3.1193		3.2356
Br5	1.9779	2.5297	3.1193	3.2356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	109.203	H2	C1	Br4	107.496
H2	C1	Br5	107.496	Cl3	C1	Br4	111.367
Cl3	C1	Br5	111.367	Br4	C1	Br5	109.756

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

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

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	-0.370
2	H	0.244
3	Cl	0.113
4	Br	0.006
5	Br	0.006

	x	y	z	Total
	-0.894	0.485	0.000	1.017
CHELPG
AIM
ESP

	x	y	z
x	8.156	1.577	0.000
y	1.577	9.822	0.000
z	0.000	0.000	12.036

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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