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	hartrees
Energy at 0K	-5616.675588
Energy at 298.15K	-5616.682683
HF Energy	-5616.150651
Nuclear repulsion energy	573.525836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3054	1.08
2	A'	1274	1208	20.63
3	A'	724	686	108.62
4	A'	586	556	3.75
5	A'	280	266	0.09
6	A'	170	161	0.05
7	A"	1221	1157	34.23
8	A"	704	668	92.28
9	A"	204	194	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.621	0.000
H2	-1.157	1.207	0.000
Cl3	1.155	1.737	0.000
Br4	-0.243	-0.492	1.596
Br5	-0.243	-0.492	-1.596

	C1	H2	Cl3	Br4	Br5
C1		1.0853	1.7890	1.9462	1.9462
H2	1.0853		2.3719	2.5041	2.5041
Cl3	1.7890	2.3719		3.0779	3.0779
Br4	1.9462	2.5041	3.0779		3.1925
Br5	1.9462	2.5041	3.0779	3.1925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.739	H2	C1	Br4	107.987
H2	C1	Br5	107.987	Cl3	C1	Br4	110.908
Cl3	C1	Br5	110.908	Br4	C1	Br5	110.207

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)

using model chemistry: MP2=FULL/3-21G*

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 CHClBr2 (Methane, dibromochloro-)

using model chemistry: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)