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	hartrees
Energy at 0K	-5638.218842
Energy at 298.15K	-5638.225969
HF Energy	-5637.685670
Nuclear repulsion energy	573.405406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3072	0.35
2	A'	1272	1197	29.03
3	A'	798	751	100.59
4	A'	576	542	6.67
5	A'	286	269	0.17
6	A'	176	166	0.02
7	A"	1205	1134	43.27
8	A"	680	641	93.38
9	A"	209	197	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.614	0.000
H2	-1.164	1.163	0.000
Cl3	1.109	1.755	0.000
Br4	-0.233	-0.495	1.604
Br5	-0.233	-0.495	-1.604

	C1	H2	Cl3	Br4	Br5
C1		1.0812	1.7614	1.9498	1.9498
H2	1.0812		2.3493	2.4876	2.4876
Cl3	1.7614	2.3493		3.0716	3.0716
Br4	1.9498	2.4876	3.0716		3.2075
Br5	1.9498	2.4876	3.0716	3.2075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	109.118	H2	C1	Br4	106.782
H2	C1	Br5	106.782	Cl3	C1	Br4	111.618
Cl3	C1	Br5	111.618	Br4	C1	Br5	110.675

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

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

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