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	hartrees
Energy at 0K	-3530.636454
Energy at 298.15K
HF Energy	-3529.944048
Nuclear repulsion energy	398.616369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3311	2.93
2	A'	1281	1281	34.96
3	A'	806	806	103.04
4	A'	651	651	8.62
5	A'	350	350	0.17
6	A'	236	236	0.10
7	A"	1316	1316	20.61
8	A"	847	847	114.00
9	A"	228	228	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.663	-0.130	0.000
H2	-1.562	0.453	0.000
Br3	0.803	1.099	0.000
Cl4	-0.663	-1.122	1.447
Cl5	-0.663	-1.122	-1.447

	C1	H2	Br3	Cl4	Cl5
C1		1.0716	1.9131	1.7543	1.7543
H2	1.0716		2.4513	2.3202	2.3202
Br3	1.9131	2.4513		3.0294	3.0294
Cl4	1.7543	2.3202	3.0294		2.8937
Cl5	1.7543	2.3202	3.0294	2.8937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.029	H2	C1	Cl4	107.930
H2	C1	Cl5	107.930	Br3	C1	Cl4	111.312
Br3	C1	Cl5	111.312	Cl4	C1	Cl5	111.121

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

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

States and conformations

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