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	hartrees
Energy at 0K	-3071.912038
Energy at 298.15K	-3071.917361
HF Energy	-3071.030179
Nuclear repulsion energy	221.347355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3032	2.22
2	A'	1479	1414	0.15
3	A'	1271	1216	45.36
4	A'	793	758	86.44
5	A'	660	631	14.83
6	A'	235	225	0.22
7	A"	3255	3113	2.18
8	A"	1177	1125	0.00
9	A"	873	835	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.008	0.000
Br2	0.832	-0.705	0.000
Cl3	-1.751	0.916	0.000
H4	0.318	1.525	0.891
H5	0.318	1.525	-0.891

	C1	Br2	Cl3	H4	H5
C1		1.9047	1.7534	1.0785	1.0785
Br2	1.9047		3.0497	2.4561	2.4561
Cl3	1.7534	3.0497		2.3339	2.3339
H4	1.0785	2.4561	2.3339		1.7829
H5	1.0785	2.4561	2.3339	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.892	Br2	C1	H4	107.592
Br2	C1	H5	107.592	Cl3	C1	H4	108.651
Cl3	C1	H5	108.651	H4	C1	H5	111.501

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

using model chemistry: MP2=FULL/aug-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/aug-cc-pVQZ

States and conformations

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