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	hartrees
Energy at 0K	-3068.809088
Energy at 298.15K	-3068.814361
HF Energy	-3068.391503
Nuclear repulsion energy	216.945866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3036
2	A'	1499	1442
3	A'	1297	1248
4	A'	771	741
5	A'	609	586
6	A'	233	224
7	A"	3240	3117
8	A"	1189	1144
9	A"	873	840

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.038	0.000
Br2	0.841	-0.732	0.000
Cl3	-1.771	0.958	0.000
H4	0.335	1.548	0.902
H5	0.335	1.548	-0.902

	C1	Br2	Cl3	H4	H5
C1		1.9590	1.7724	1.0891	1.0891
Br2	1.9590		3.1102	2.5030	2.5030
Cl3	1.7724	3.1102		2.3657	2.3657
H4	1.0891	2.5030	2.3657		1.8040
H5	1.0891	2.5030	2.3657	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.828	Br2	C1	H4	106.909
Br2	C1	H5	106.909	Cl3	C1	H4	109.189
Cl3	C1	H5	109.189	H4	C1	H5	111.829

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

using model chemistry: CCSD(T)/6-31G*

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)/6-31G*

States and conformations

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