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	hartrees
Energy at 0K	-3071.897350
Energy at 298.15K	-3071.902674
HF Energy	-3071.029932
Nuclear repulsion energy	221.017324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3036	2.61
2	A'	1475	1411	0.08
3	A'	1277	1222	45.81
4	A'	790	756	86.03
5	A'	658	629	16.97
6	A'	235	225	0.22
7	A"	3258	3118	1.66
8	A"	1179	1129	0.01
9	A"	878	841	2.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.012	0.000
Br2	0.833	-0.707	0.000
Cl3	-1.752	0.919	0.000
H4	0.318	1.528	0.892
H5	0.318	1.528	-0.892

	C1	Br2	Cl3	H4	H5
C1		1.9098	1.7543	1.0783	1.0783
Br2	1.9098		3.0535	2.4605	2.4605
Cl3	1.7543	3.0535		2.3345	2.3345
H4	1.0783	2.4605	2.3345		1.7839
H5	1.0783	2.4605	2.3345	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.816	Br2	C1	H4	107.578
Br2	C1	H5	107.578	Cl3	C1	H4	108.645
Cl3	C1	H5	108.645	H4	C1	H5	111.620

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

using model chemistry: MP2=FULL/cc-pVQZ

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: MP2=FULL/cc-pVQZ

States and conformations

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