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	hartrees
Energy at 0K	-914.687363
Energy at 298.15K
HF Energy	-914.065616
Nuclear repulsion energy	169.155991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3154	5.09
2	A'	1477	1477	0.02
3	A'	1274	1274	54.56
4	A'	775	775	84.82
5	A'	637	637	18.63
6	A'	231	231	0.24
7	A"	3233	3233	0.10
8	A"	1169	1169	0.02
9	A"	870	870	2.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.020	0.000
Br2	0.840	-0.715	0.000
Cl3	-1.767	0.931	0.000
H4	0.320	1.535	0.895
H5	0.320	1.535	-0.895

	C1	Br2	Cl3	H4	H5
C1		1.9269	1.7695	1.0814	1.0814
Br2	1.9269		3.0829	2.4766	2.4766
Cl3	1.7695	3.0829		2.3503	2.3503
H4	1.0814	2.4766	2.3503		1.7897
H5	1.0814	2.4766	2.3503	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.964	Br2	C1	H4	107.472
Br2	C1	H5	107.472	Cl3	C1	H4	108.645
Cl3	C1	H5	108.645	H4	C1	H5	111.687

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ-PP

States and conformations

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