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	hartrees
Energy at 0K	-5643.512651
Energy at 298.15K	-5643.506792
HF Energy	-5637.684326
Nuclear repulsion energy	577.908418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3421	3223	1.11
2	A'	1362	1283	36.14
3	A'	846	797	117.21
4	A'	611	576	6.98
5	A'	304	287	0.15
6	A'	187	176	0.03
7	A"	1304	1228	55.72
8	A"	742	699	108.82
9	A"	223	210	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.614	0.000
H2	-1.166	1.169	0.000
Cl3	1.110	1.743	0.000
Br4	-0.233	-0.493	1.594
Br5	-0.233	-0.493	-1.594

	C1	H2	Cl3	Br4	Br5
C1		1.0852	1.7547	1.9410	1.9410
H2	1.0852		2.3477	2.4844	2.4844
Cl3	1.7547	2.3477		3.0570	3.0570
Br4	1.9410	2.4844	3.0570		3.1888
Br5	1.9410	2.4844	3.0570	3.1888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.526	H2	C1	Br4	106.926
H2	C1	Br5	106.926	Cl3	C1	Br4	111.524
Cl3	C1	Br5	111.524	Br4	C1	Br5	111.161

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

using model chemistry: G2

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: G2

States and conformations

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