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	hartrees
Energy at 0K	-5643.155982
Energy at 298.15K	-5643.163199
HF Energy	-5642.676094
Nuclear repulsion energy	576.932905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	3062	0.32
2	A'	1324	1231	28.74
3	A'	823	765	114.15
4	A'	601	559	4.43
5	A'	299	278	0.04
6	A'	179	166	0.02
7	A"	1265	1175	47.16
8	A"	733	681	97.10
9	A"	216	201	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.230	0.591	0.000
H2	-1.154	1.145	0.000
Cl3	1.094	1.749	0.000
Br4	-0.230	-0.492	1.597
Br5	-0.230	-0.492	-1.597

	C1	H2	Cl3	Br4	Br5
C1		1.0777	1.7584	1.9295	1.9295
H2	1.0777		2.3283	2.4664	2.4664
Cl3	1.7584	2.3283		3.0533	3.0533
Br4	1.9295	2.4664	3.0533		3.1937
Br5	1.9295	2.4664	3.0533	3.1937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.939	H2	C1	Br4	106.748
H2	C1	Br5	106.748	Cl3	C1	Br4	111.688
Cl3	C1	Br5	111.688	Br4	C1	Br5	111.704

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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