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	hartrees
Energy at 0K	-3530.402955
Energy at 298.15K
HF Energy	-3529.815788
Nuclear repulsion energy	393.823399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3222	0.29
2	A'	1236	1236	45.94
3	A'	767	767	108.92
4	A'	620	620	12.36
5	A'	344	344	0.10
6	A'	232	232	0.00
7	A"	1300	1300	28.71
8	A"	816	816	129.49
9	A"	226	226	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.666	-0.146	0.000
H2	-1.576	0.443	0.000
Br3	0.807	1.120	0.000
Cl4	-0.666	-1.141	1.462
Cl5	-0.666	-1.141	-1.462

	C1	H2	Br3	Cl4	Cl5
C1		1.0837	1.9427	1.7682	1.7682
H2	1.0837		2.4764	2.3395	2.3395
Br3	1.9427	2.4764		3.0691	3.0691
Cl4	1.7682	2.3395	3.0691		2.9246
Cl5	1.7682	2.3395	3.0691	2.9246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.337	H2	C1	Cl4	107.813
H2	C1	Cl5	107.813	Br3	C1	Cl4	111.508
Br3	C1	Cl5	111.508	Cl4	C1	Cl5	111.578

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

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

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