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	hartrees
Energy at 0K	-5647.241341
Energy at 298.15K	-5647.248473
HF Energy	-5647.241341
Nuclear repulsion energy	574.782938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3072	0.79
2	A'	1246	1192	27.23
3	A'	763	730	141.61
4	A'	582	557	4.93
5	A'	289	277	0.01
6	A'	173	165	0.00
7	A"	1192	1140	46.01
8	A"	697	666	120.92
9	A"	206	197	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.229	0.590	0.000
H2	-1.162	1.140	0.000
Cl3	1.090	1.767	0.000
Br4	-0.229	-0.496	1.607
Br5	-0.229	-0.496	-1.607

	C1	H2	Cl3	Br4	Br5
C1		1.0827	1.7672	1.9394	1.9394
H2	1.0827		2.3375	2.4753	2.4753
Cl3	1.7672	2.3375		3.0725	3.0725
Br4	1.9394	2.4753	3.0725		3.2135
Br5	1.9394	2.4753	3.0725	3.2135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.777	H2	C1	Br4	106.506
H2	C1	Br5	106.506	Cl3	C1	Br4	111.890
Cl3	C1	Br5	111.890	Br4	C1	Br5	111.883

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

using model chemistry: wB97X-D/6-311G**

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	-0.414
2	H	0.260
3	Cl	0.026
4	Br	0.064
5	Br	0.064

	x	y	z	Total
	-1.043	0.347	0.000	1.100
CHELPG
AIM
ESP

	x	y	z
x	5.785	1.612	0.000
y	1.612	7.632	0.000
z	0.000	0.000	9.548

<r²>	312.867
(<r²>)^1/2	17.688

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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