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	hartrees
Energy at 0K	-3530.774387
Energy at 298.15K	-3530.778851
HF Energy	-3529.943788
Nuclear repulsion energy	396.571315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3077	2.23
2	A'	1238	1184	30.95
3	A'	777	743	93.14
4	A'	631	604	8.23
5	A'	340	325	0.14
6	A'	229	219	0.08
7	A"	1273	1219	18.34
8	A"	816	781	104.64
9	A"	221	212	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.669	-0.128	0.000
H2	-1.572	0.463	0.000
Br3	0.809	1.103	0.000
Cl4	-0.669	-1.126	1.454
Cl5	-0.669	-1.126	-1.454

	C1	H2	Br3	Cl4	Cl5
C1		1.0796	1.9237	1.7637	1.7637
H2	1.0796		2.4659	2.3358	2.3358
Br3	1.9237	2.4659		3.0442	3.0442
Cl4	1.7637	2.3358	3.0442		2.9085
Cl5	1.7637	2.3358	3.0442	2.9085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.007	H2	C1	Cl4	108.054
H2	C1	Cl5	108.054	Br3	C1	Cl4	111.224
Br3	C1	Cl5	111.224	Cl4	C1	Cl5	111.086

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

using model chemistry: CCD/aug-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: CCD/aug-cc-pVTZ

States and conformations

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