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	hartrees
Energy at 0K	-5644.122860
Energy at 298.15K	-5644.117073
HF Energy	-5637.856815
Nuclear repulsion energy	579.199737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3394	3394	0.61
2	A'	1356	1356	35.38
3	A'	843	843	125.75
4	A'	621	621	6.03
5	A'	307	307	0.15
6	A'	187	187	0.03
7	A"	1308	1308	54.17
8	A"	767	767	108.44
9	A"	222	222	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	0.594	0.000
H2	-1.150	1.151	0.000
Cl3	1.103	1.741	0.000
Br4	-0.232	-0.490	1.584
Br5	-0.232	-0.490	-1.584

	C1	H2	Cl3	Br4	Br5
C1		1.0745	1.7601	1.9192	1.9192
H2	1.0745		2.3297	2.4588	2.4588
Cl3	1.7601	2.3297		3.0444	3.0444
Br4	1.9192	2.4588	3.0444		3.1676
Br5	1.9192	2.4588	3.0444	3.1676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.099	H2	C1	Br4	107.027
H2	C1	Br5	107.027	Cl3	C1	Br4	111.598
Cl3	C1	Br5	111.598	Br4	C1	Br5	111.223

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

using model chemistry: CBS-Q

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

using model chemistry: CBS-Q

States and conformations

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