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	hartrees
Energy at 0K	-3071.758587
Energy at 298.15K	-3071.763872
HF Energy	-3071.020362
Nuclear repulsion energy	218.966475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3024
2	A'	1470	1408
3	A'	1261	1208
4	A'	765	733
5	A'	630	603
6	A'	229	219
7	A"	3212	3077
8	A"	1163	1114
9	A"	857	821

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.020	0.000
Br2	0.840	-0.717	0.000
Cl3	-1.767	0.936	0.000
H4	0.320	1.532	0.893
H5	0.320	1.532	-0.893

	C1	Br2	Cl3	H4	H5
C1		1.9289	1.7686	1.0785	1.0785
Br2	1.9289		3.0863	2.4752	2.4752
Cl3	1.7686	3.0863		2.3470	2.3470
H4	1.0785	2.4752	2.3470		1.7862
H5	1.0785	2.4752	2.3470	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.100	Br2	C1	H4	107.379
Br2	C1	H5	107.379	Cl3	C1	H4	108.612
Cl3	C1	H5	108.612	H4	C1	H5	111.810

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

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

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

States and conformations

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