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	hartrees
Energy at 0K	-3530.784149
Energy at 298.15K
HF Energy	-3529.944080
Nuclear repulsion energy	396.215778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3210	2.01
2	A'	1229	1229	32.00
3	A'	768	768	98.56
4	A'	627	627	9.19
5	A'	337	337	0.14
6	A'	227	227	0.07
7	A"	1265	1265	18.81
8	A"	807	807	109.60
9	A"	220	220	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.670	-0.127	0.000
H2	-1.574	0.464	0.000
Br3	0.811	1.103	0.000
Cl4	-0.670	-1.126	1.456
Cl5	-0.670	-1.126	-1.456

	C1	H2	Br3	Cl4	Cl5
C1		1.0797	1.9255	1.7655	1.7655
H2	1.0797		2.4687	2.3378	2.3378
Br3	1.9255	2.4687		3.0467	3.0467
Cl4	1.7655	2.3378	3.0467		2.9112
Cl5	1.7655	2.3378	3.0467	2.9112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.076	H2	C1	Cl4	108.064
H2	C1	Cl5	108.064	Br3	C1	Cl4	111.192
Br3	C1	Cl5	111.192	Cl4	C1	Cl5	111.068

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

using model chemistry: QCISD/daug-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: QCISD/daug-cc-pVTZ

States and conformations

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