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	hartrees
Energy at 0K	-5643.158124
Energy at 298.15K	-5643.165335
HF Energy	-5642.676094
Nuclear repulsion energy	576.655909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3048	0.27
2	A'	1322	1223	29.21
3	A'	819	758	116.15
4	A'	600	555	4.56
5	A'	298	276	0.04
6	A'	178	165	0.02
7	A"	1262	1168	48.02
8	A"	729	675	99.28
9	A"	215	199	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.230	0.592	0.000
H2	-1.155	1.145	0.000
Cl3	1.095	1.750	0.000
Br4	-0.230	-0.492	1.598
Br5	-0.230	-0.492	-1.598

	C1	H2	Cl3	Br4	Br5
C1		1.0778	1.7593	1.9305	1.9305
H2	1.0778		2.3293	2.4674	2.4674
Cl3	1.7593	2.3293		3.0548	3.0548
Br4	1.9305	2.4674	3.0548		3.1951
Br5	1.9305	2.4674	3.0548	3.1951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.952	H2	C1	Br4	106.753
H2	C1	Br5	106.753	Cl3	C1	Br4	111.684
Cl3	C1	Br5	111.684	Br4	C1	Br5	111.689

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

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

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