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	hartrees
Energy at 0K	-914.798176
Energy at 298.15K
HF Energy	-914.065687
Nuclear repulsion energy	169.212858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3157	3157
2	A'	1472	1472
3	A'	1261	1261
4	A'	765	765
5	A'	630	630
6	A'	229	229
7	A"	3215	3215
8	A"	1161	1161
9	A"	860	860

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.020	0.000
Br2	0.840	-0.715	0.000
Cl3	-1.766	0.932	0.000
H4	0.319	1.532	0.894
H5	0.319	1.532	-0.894

	C1	Br2	Cl3	H4	H5
C1		1.9272	1.7686	1.0783	1.0783
Br2	1.9272		3.0826	2.4732	2.4732
Cl3	1.7686	3.0826		2.3473	2.3473
H4	1.0783	2.4732	2.3473		1.7872
H5	1.0783	2.4732	2.3473	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.972	Br2	C1	H4	107.357
Br2	C1	H5	107.357	Cl3	C1	H4	108.638
Cl3	C1	H5	108.638	H4	C1	H5	111.930

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVTZ-PP

States and conformations

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