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	hartrees
Energy at 0K	-5643.722494
Energy at 298.15K	-5643.729656
HF Energy	-5642.883804
Nuclear repulsion energy	578.038873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3006	1.62
2	A'	1244	1162	21.04
3	A'	797	744	92.59
4	A'	588	549	3.58
5	A'	288	269	0.06
6	A'	172	161	0.01
7	A"	1208	1128	36.18
8	A"	723	675	82.81
9	A"	206	192	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	0.592	0.000
H2	-1.154	1.153	0.000
Cl3	1.106	1.740	0.000
Br4	-0.232	-0.490	1.592
Br5	-0.232	-0.490	-1.592

	C1	H2	Cl3	Br4	Br5
C1		1.0790	1.7633	1.9245	1.9245
H2	1.0790		2.3349	2.4662	2.4662
Cl3	1.7633	2.3349		3.0489	3.0489
Br4	1.9245	2.4662	3.0489		3.1840
Br5	1.9245	2.4662	3.0489	3.1840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.037	H2	C1	Br4	106.995
H2	C1	Br5	106.995	Cl3	C1	Br4	111.456
Cl3	C1	Br5	111.456	Br4	C1	Br5	111.629

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

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

using model chemistry: CCD/cc-pVTZ

States and conformations

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