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	hartrees
Energy at 0K	-5643.750117
Energy at 298.15K	-5643.757288
HF Energy	-5642.885305
Nuclear repulsion energy	579.047397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3081	3.68
2	A'	1252	1198	20.27
3	A'	796	762	87.42
4	A'	592	566	3.07
5	A'	290	277	0.04
6	A'	173	166	0.00
7	A"	1215	1162	33.69
8	A"	725	694	77.48
9	A"	207	198	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.593	0.000
H2	-1.153	1.158	0.000
Cl3	1.111	1.732	0.000
Br4	-0.233	-0.488	1.589
Br5	-0.233	-0.488	-1.589

	C1	H2	Cl3	Br4	Br5
C1		1.0792	1.7622	1.9215	1.9215
H2	1.0792		2.3350	2.4655	2.4655
Cl3	1.7622	2.3350		3.0432	3.0432
Br4	1.9215	2.4655	3.0432		3.1776
Br5	1.9215	2.4655	3.0432	3.1776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.110	H2	C1	Br4	107.133
H2	C1	Br5	107.133	Cl3	C1	Br4	111.333
Cl3	C1	Br5	111.333	Br4	C1	Br5	111.553

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

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

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