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	hartrees
Energy at 0K	-3528.189308
Energy at 298.15K	-3528.193765
HF Energy	-3527.470985
Nuclear repulsion energy	397.084746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3055	1.31
2	A'	1234	1169	29.62
3	A'	781	740	97.22
4	A'	634	601	6.69
5	A'	339	321	0.19
6	A'	230	218	0.20
7	A"	1268	1202	20.32
8	A"	809	766	113.17
9	A"	224	212	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.666	-0.119	0.000
H2	-1.581	0.461	0.000
Br3	0.806	1.098	0.000
Cl4	-0.666	-1.123	1.458
Cl5	-0.666	-1.123	-1.458

	C1	H2	Br3	Cl4	Cl5
C1		1.0837	1.9098	1.7700	1.7700
H2	1.0837		2.4702	2.3392	2.3392
Br3	1.9098	2.4702		3.0372	3.0372
Cl4	1.7700	2.3392	3.0372		2.9159
Cl5	1.7700	2.3392	3.0372	2.9159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.018	H2	C1	Cl4	107.672
H2	C1	Cl5	107.672	Br3	C1	Cl4	111.194
Br3	C1	Cl5	111.194	Cl4	C1	Cl5	110.914

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

using model chemistry: QCISD/6-31G(2df,p)

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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)