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	hartrees
Energy at 0K	-3071.577952
Energy at 298.15K	-3071.583259
HF Energy	-3070.954163
Nuclear repulsion energy	218.091522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3035	5.80
2	A'	1479	1409	0.71
3	A'	1308	1247	75.34
4	A'	782	745	89.35
5	A'	634	604	23.48
6	A'	233	222	0.25
7	A"	3277	3122	0.10
8	A"	1181	1125	0.01
9	A"	874	833	2.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.020	0.000
Br2	0.840	-0.725	0.000
Cl3	-1.769	0.954	0.000
H4	0.328	1.529	0.896
H5	0.328	1.529	-0.896

	C1	Br2	Cl3	H4	H5
C1		1.9372	1.7702	1.0811	1.0811
Br2	1.9372		3.1029	2.4791	2.4791
Cl3	1.7702	3.1029		2.3519	2.3519
H4	1.0811	2.4791	2.3519		1.7914
H5	1.0811	2.4791	2.3519	1.7914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.559	Br2	C1	H4	106.994
Br2	C1	H5	106.994	Cl3	C1	H4	108.727
Cl3	C1	H5	108.727	H4	C1	H5	111.888

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

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

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