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	hartrees
Energy at 0K	-3530.563069
Energy at 298.15K
HF Energy	-3529.860718
Nuclear repulsion energy	391.780029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3212	3092
2	A'	1211	1165
3	A'	738	710
4	A'	605	582
5	A'	332	319
6	A'	222	214
7	A"	1267	1220
8	A"	783	754
9	A"	216	208

Atom	x (Å)	y (Å)	z (Å)
C1	-0.673	-0.141	0.000
H2	-1.578	0.451	0.000
Br3	0.814	1.123	0.000
Cl4	-0.673	-1.144	1.471
Cl5	-0.673	-1.144	-1.471

	C1	H2	Br3	Cl4	Cl5
C1		1.0821	1.9514	1.7803	1.7803
H2	1.0821		2.4849	2.3510	2.3510
Br3	1.9514	2.4849		3.0841	3.0841
Cl4	1.7803	2.3510	3.0841		2.9425
Cl5	1.7803	2.3510	3.0841	2.9425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.447	H2	C1	Cl4	107.947
H2	C1	Cl5	107.947	Br3	C1	Cl4	111.392
Br3	C1	Cl5	111.392	Cl4	C1	Cl5	111.464

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

using model chemistry: CCSD(T)/TZVP

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)/TZVP

States and conformations

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