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	hartrees
Energy at 0K	-914.683068
Energy at 298.15K
HF Energy	-914.065630
Nuclear repulsion energy	169.372567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3162	4.74
2	A'	1481	1481	0.01
3	A'	1282	1282	52.83
4	A'	786	786	80.30
5	A'	645	645	16.36
6	A'	233	233	0.26
7	A"	3241	3241	0.15
8	A"	1175	1175	0.02
9	A"	873	873	2.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.018	0.000
Br2	0.839	-0.714	0.000
Cl3	-1.765	0.929	0.000
H4	0.320	1.535	0.894
H5	0.320	1.535	-0.894

	C1	Br2	Cl3	H4	H5
C1		1.9239	1.7672	1.0810	1.0810
Br2	1.9239		3.0789	2.4744	2.4744
Cl3	1.7672	3.0789		2.3480	2.3480
H4	1.0810	2.4744	2.3480		1.7877
H5	1.0810	2.4744	2.3480	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.980	Br2	C1	H4	107.525
Br2	C1	H5	107.525	Cl3	C1	H4	108.647
Cl3	C1	H5	108.647	H4	C1	H5	111.557

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)

using model chemistry: CCD/cc-pVTZ-PP

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 CH2BrCl (Methane, bromochloro-)

using model chemistry: CCD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)