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	hartrees
Energy at 0K	-5638.742864
Energy at 298.15K	-5638.750053
HF Energy	-5638.052898
Nuclear repulsion energy	581.875553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3058	2.73
2	A'	1257	1190	19.40
3	A'	800	758	86.08
4	A'	598	567	2.69
5	A'	293	278	0.09
6	A'	179	170	0.01
7	A"	1219	1155	28.13
8	A"	744	705	69.61
9	A"	209	198	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.591	0.000
H2	-1.148	1.176	0.000
Cl3	1.121	1.724	0.000
Br4	-0.236	-0.486	1.576
Br5	-0.236	-0.486	-1.576

	C1	H2	Cl3	Br4	Br5
C1		1.0835	1.7684	1.9089	1.9089
H2	1.0835		2.3345	2.4653	2.4653
Cl3	1.7684	2.3345		3.0352	3.0352
Br4	1.9089	2.4653	3.0352		3.1523
Br5	1.9089	2.4653	3.0352	3.1523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.442	H2	C1	Br4	107.735
H2	C1	Br5	107.735	Cl3	C1	Br4	111.202
Cl3	C1	Br5	111.202	Br4	C1	Br5	111.319

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

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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