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	hartrees
Energy at 0K	-3071.880648
Energy at 298.15K	-3071.885957
HF Energy	-3070.967140
Nuclear repulsion energy	219.528622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3163	4.47
2	A'	1483	1483	0.00
3	A'	1286	1286	52.90
4	A'	783	783	82.43
5	A'	645	645	16.99
6	A'	233	233	0.24
7	A"	3241	3241	0.24
8	A"	1181	1181	0.01
9	A"	872	872	2.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.018	0.000
Br2	0.836	-0.716	0.000
Cl3	-1.760	0.935	0.000
H4	0.322	1.532	0.892
H5	0.322	1.532	-0.892

	C1	Br2	Cl3	H4	H5
C1		1.9258	1.7615	1.0784	1.0784
Br2	1.9258		3.0767	2.4732	2.4732
Cl3	1.7615	3.0767		2.3417	2.3417
H4	1.0784	2.4732	2.3417		1.7837
H5	1.0784	2.4732	2.3417	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.034	Br2	C1	H4	107.439
Br2	C1	H5	107.439	Cl3	C1	H4	108.694
Cl3	C1	H5	108.694	H4	C1	H5	111.579

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

using model chemistry: CCSD=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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