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	hartrees
Energy at 0K	-3530.456413
Energy at 298.15K
HF Energy	-3529.831649
Nuclear repulsion energy	392.557408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3197	1.36
2	A'	1213	1213	34.33
3	A'	753	753	100.47
4	A'	618	618	10.42
5	A'	335	335	0.14
6	A'	228	228	0.05
7	A"	1243	1243	19.73
8	A"	794	794	112.27
9	A"	221	221	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.677	-0.129	0.000
H2	-1.592	0.469	0.000
Br3	0.819	1.113	0.000
Cl4	-0.677	-1.137	1.468
Cl5	-0.677	-1.137	-1.468

	C1	H2	Br3	Cl4	Cl5
C1		1.0931	1.9441	1.7812	1.7812
H2	1.0931		2.4951	2.3608	2.3608
Br3	1.9441	2.4951		3.0753	3.0753
Cl4	1.7812	2.3608	3.0753		2.9368
Cl5	1.7812	2.3608	3.0753	2.9368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.118	H2	C1	Cl4	108.035
H2	C1	Cl5	108.035	Br3	C1	Cl4	111.207
Br3	C1	Cl5	111.207	Cl4	C1	Cl5	111.051

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

using model chemistry: CCSD/daug-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/daug-cc-pVDZ

States and conformations

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