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	hartrees
Energy at 0K	-3530.467017
Energy at 298.15K
HF Energy	-3529.841476
Nuclear repulsion energy	398.307562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3035	3.14
2	A'	1280	1180	34.62
3	A'	806	743	100.27
4	A'	649	598	9.87
5	A'	354	326	0.15
6	A'	239	220	0.05
7	A"	1318	1215	20.31
8	A"	855	788	112.35
9	A"	231	213	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.665	-0.136	0.000
H2	-1.564	0.451	0.000
Br3	0.805	1.102	0.000
Cl4	-0.665	-1.124	1.445
Cl5	-0.665	-1.124	-1.445

	C1	H2	Br3	Cl4	Cl5
C1		1.0736	1.9218	1.7499	1.7499
H2	1.0736		2.4561	2.3184	2.3184
Br3	1.9218	2.4561		3.0333	3.0333
Cl4	1.7499	2.3184	3.0333		2.8894
Cl5	1.7499	2.3184	3.0333	2.8894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.707	H2	C1	Cl4	107.988
H2	C1	Cl5	107.988	Br3	C1	Cl4	111.318
Br3	C1	Cl5	111.318	Cl4	C1	Cl5	111.298

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

using model chemistry: CISD/6-311+G(3df,2p)

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: CISD/6-311+G(3df,2p)

States and conformations

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