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	hartrees
Energy at 0K	-3530.541702
Energy at 298.15K
HF Energy	-3529.860938
Nuclear repulsion energy	392.952906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3091	0.06
2	A'	1231	1175	51.07
3	A'	759	724	107.46
4	A'	616	588	14.62
5	A'	337	322	0.27
6	A'	226	216	0.05
7	A"	1285	1226	31.04
8	A"	806	769	118.63
9	A"	219	209	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.669	-0.142	0.000
H2	-1.573	0.449	0.000
Br3	0.810	1.120	0.000
Cl4	-0.669	-1.141	1.467
Cl5	-0.669	-1.141	-1.467

	C1	H2	Br3	Cl4	Cl5
C1		1.0800	1.9445	1.7753	1.7753
H2	1.0800		2.4762	2.3450	2.3450
Br3	1.9445	2.4762		3.0750	3.0750
Cl4	1.7753	2.3450	3.0750		2.9344
Cl5	1.7753	2.3450	3.0750	2.9344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.371	H2	C1	Cl4	107.937
H2	C1	Cl5	107.937	Br3	C1	Cl4	111.430
Br3	C1	Cl5	111.430	Cl4	C1	Cl5	111.475

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

using model chemistry: CCSD/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/TZVP

States and conformations

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