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	hartrees
Energy at 0K	-3530.756459
Energy at 298.15K	-3530.760898
HF Energy	-3529.941954
Nuclear repulsion energy	395.474584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3068	0.53
2	A'	1224	1170	34.71
3	A'	766	732	104.98
4	A'	624	596	10.53
5	A'	336	321	0.19
6	A'	226	216	0.07
7	A"	1258	1202	19.27
8	A"	807	771	115.73
9	A"	219	210	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.668	-0.133	0.000
H2	-1.573	0.456	0.000
Br3	0.809	1.109	0.000
Cl4	-0.668	-1.131	1.458
Cl5	-0.668	-1.131	-1.458

	C1	H2	Br3	Cl4	Cl5
C1		1.0795	1.9296	1.7671	1.7671
H2	1.0795		2.4699	2.3374	2.3374
Br3	1.9296	2.4699		3.0537	3.0537
Cl4	1.7671	2.3374	3.0537		2.9162
Cl5	1.7671	2.3374	3.0537	2.9162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.909	H2	C1	Cl4	107.943
H2	C1	Cl5	107.943	Br3	C1	Cl4	111.314
Br3	C1	Cl5	111.314	Cl4	C1	Cl5	111.203

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

using model chemistry: QCISD/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/cc-pVTZ

States and conformations

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