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	hartrees
Energy at 0K	-5643.265548
Energy at 298.15K	-5643.272685
HF Energy	-5642.698817
Nuclear repulsion energy	572.448949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3072	0.14
2	A'	1237	1183	23.37
3	A'	791	757	98.59
4	A'	579	554	4.80
5	A'	286	274	0.07
6	A'	172	165	0.01
7	A"	1197	1146	38.94
8	A"	702	672	88.59
9	A"	206	198	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.599	0.000
H2	-1.172	1.164	0.000
Cl3	1.111	1.757	0.000
Br4	-0.233	-0.495	1.609
Br5	-0.233	-0.495	-1.609

	C1	H2	Cl3	Br4	Br5
C1		1.0957	1.7747	1.9448	1.9448
H2	1.0957		2.3589	2.4938	2.4938
Cl3	1.7747	2.3589		3.0764	3.0764
Br4	1.9448	2.4938	3.0764		3.2171
Br5	1.9448	2.4938	3.0764	3.2171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.191	H2	C1	Br4	106.862
H2	C1	Br5	106.862	Cl3	C1	Br4	111.521
Cl3	C1	Br5	111.521	Br4	C1	Br5	111.599

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)

using model chemistry: CCD/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 CHClBr2 (Methane, dibromochloro-)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)