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	hartrees
Energy at 0K	-5643.727734
Energy at 298.15K	-5643.734884
HF Energy	-5642.883797
Nuclear repulsion energy	577.539350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3027	1.57
2	A'	1239	1166	21.49
3	A'	790	743	95.88
4	A'	586	551	3.77
5	A'	287	270	0.06
6	A'	172	162	0.01
7	A"	1202	1132	37.35
8	A"	716	674	86.89
9	A"	205	193	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	0.592	0.000
H2	-1.154	1.154	0.000
Cl3	1.107	1.741	0.000
Br4	-0.232	-0.490	1.593
Br5	-0.232	-0.490	-1.593

	C1	H2	Cl3	Br4	Br5
C1		1.0790	1.7647	1.9263	1.9263
H2	1.0790		2.3361	2.4679	2.4679
Cl3	1.7647	2.3361		3.0515	3.0515
Br4	1.9263	2.4679	3.0515		3.1870
Br5	1.9263	2.4679	3.0515	3.1870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.029	H2	C1	Br4	107.003
H2	C1	Br5	107.003	Cl3	C1	Br4	111.452
Cl3	C1	Br5	111.452	Br4	C1	Br5	111.630

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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