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	hartrees
Energy at 0K	-3072.007275
Energy at 298.15K	-3072.012600
HF Energy	-3070.925468
Nuclear repulsion energy	219.694932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3163	3.36
2	A'	1495	1495	0.07
3	A'	1293	1293	49.68
4	A'	794	794	80.61
5	A'	645	645	17.64
6	A'	237	237	0.20
7	A"	3240	3240	0.97
8	A"	1191	1191	0.01
9	A"	882	882	2.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.019	0.000
Br2	0.834	-0.717	0.000
Cl3	-1.756	0.936	0.000
H4	0.323	1.534	0.894
H5	0.323	1.534	-0.894

	C1	Br2	Cl3	H4	H5
C1		1.9259	1.7578	1.0809	1.0809
Br2	1.9259		3.0729	2.4755	2.4755
Cl3	1.7578	3.0729		2.3402	2.3402
H4	1.0809	2.4755	2.3402		1.7874
H5	1.0809	2.4755	2.3402	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.984	Br2	C1	H4	107.478
Br2	C1	H5	107.478	Cl3	C1	H4	108.699
Cl3	C1	H5	108.699	H4	C1	H5	111.540

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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: CCSD=FULL/6-311+G(3df,2p)

States and conformations

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