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	hartrees
Energy at 0K	-3530.474181
Energy at 298.15K
HF Energy	-3529.829903
Nuclear repulsion energy	391.278734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3170	3100
2	A'	1192	1166
3	A'	729	713
4	A'	607	593
5	A'	330	322
6	A'	224	219
7	A"	1221	1194
8	A"	766	749
9	A"	218	213

Atom	x (Å)	y (Å)	z (Å)
C1	-0.681	-0.127	0.000
H2	-1.597	0.475	0.000
Br3	0.824	1.114	0.000
Cl4	-0.681	-1.139	1.474
Cl5	-0.681	-1.139	-1.474

	C1	H2	Br3	Cl4	Cl5
C1		1.0957	1.9512	1.7876	1.7876
H2	1.0957		2.5042	2.3695	2.3695
Br3	1.9512	2.5042		3.0845	3.0845
Cl4	1.7876	2.3695	3.0845		2.9471
Cl5	1.7876	2.3695	3.0845	2.9471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.184	H2	C1	Cl4	108.121
H2	C1	Cl5	108.121	Br3	C1	Cl4	111.099
Br3	C1	Cl5	111.099	Cl4	C1	Cl5	111.045

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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(T)/aug-cc-pVDZ

States and conformations

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