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	hartrees
Energy at 0K	-3530.473596
Energy at 298.15K	-3530.477985
HF Energy	-3529.829939
Nuclear repulsion energy	391.421643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3171	3052
2	A'	1194	1149
3	A'	731	704
4	A'	608	585
5	A'	330	318
6	A'	224	216
7	A"	1223	1177
8	A"	768	739
9	A"	218	210

Atom	x (Å)	y (Å)	z (Å)
C1	-0.681	-0.126	0.000
H2	-1.597	0.475	0.000
Br3	0.824	1.113	0.000
Cl4	-0.681	-1.138	1.473
Cl5	-0.681	-1.138	-1.473

	C1	H2	Br3	Cl4	Cl5
C1		1.0957	1.9504	1.7871	1.7871
H2	1.0957		2.5042	2.3689	2.3689
Br3	1.9504	2.5042		3.0832	3.0832
Cl4	1.7871	2.3689	3.0832		2.9463
Cl5	1.7871	2.3689	3.0832	2.9463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.235	H2	C1	Cl4	108.109
H2	C1	Cl5	108.109	Br3	C1	Cl4	111.088
Br3	C1	Cl5	111.088	Cl4	C1	Cl5	111.041

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

using model chemistry: CCSD(T)/aug-cc-pVDZ

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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: CCSD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)