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	hartrees
Energy at 0K	-3530.413762
Energy at 298.15K
HF Energy	-3529.813730
Nuclear repulsion energy	392.497261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3177	3058
2	A'	1232	1186
3	A'	743	716
4	A'	610	587
5	A'	339	326
6	A'	228	220
7	A"	1293	1244
8	A"	790	761
9	A"	222	213

Atom	x (Å)	y (Å)	z (Å)
C1	-0.672	-0.145	0.000
H2	-1.583	0.448	0.000
Br3	0.813	1.122	0.000
Cl4	-0.672	-1.142	1.467
Cl5	-0.672	-1.142	-1.467

	C1	H2	Br3	Cl4	Cl5
C1		1.0870	1.9513	1.7737	1.7737
H2	1.0870		2.4882	2.3476	2.3476
Br3	1.9513	2.4882		3.0791	3.0791
Cl4	1.7737	2.3476	3.0791		2.9332
Cl5	1.7737	2.3476	3.0791	2.9332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.459	H2	C1	Cl4	107.870
H2	C1	Cl5	107.870	Br3	C1	Cl4	111.413
Br3	C1	Cl5	111.413	Cl4	C1	Cl5	111.551

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

using model chemistry: CCSD(T)/6-311G*

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: CCSD(T)/6-311G*

States and conformations

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