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	hartrees
Energy at 0K	-3530.750849
Energy at 298.15K	-3530.755306
HF Energy	-3529.941990
Nuclear repulsion energy	395.954334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3002	0.63
2	A'	1232	1151	33.40
3	A'	775	724	99.15
4	A'	628	586	9.71
5	A'	338	316	0.20
6	A'	228	213	0.09
7	A"	1266	1182	18.86
8	A"	819	765	110.46
9	A"	221	206	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.667	-0.134	0.000
H2	-1.572	0.456	0.000
Br3	0.808	1.108	0.000
Cl4	-0.667	-1.130	1.456
Cl5	-0.667	-1.130	-1.456

	C1	H2	Br3	Cl4	Cl5
C1		1.0794	1.9278	1.7644	1.7644
H2	1.0794		2.4670	2.3350	2.3350
Br3	1.9278	2.4670		3.0500	3.0500
Cl4	1.7644	2.3350	3.0500		2.9125
Cl5	1.7644	2.3350	3.0500	2.9125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.825	H2	C1	Cl4	107.956
H2	C1	Cl5	107.956	Br3	C1	Cl4	111.318
Br3	C1	Cl5	111.318	Cl4	C1	Cl5	111.247

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

using model chemistry: CCD/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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: CCD/cc-pVTZ

States and conformations

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