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	hartrees
Energy at 0K	-5638.210788
Energy at 298.15K	-5638.217905
HF Energy	-5637.683757
Nuclear repulsion energy	573.307529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3079	0.66
2	A'	1272	1212	26.50
3	A'	797	759	100.66
4	A'	576	549	6.92
5	A'	286	273	0.18
6	A'	176	168	0.02
7	A"	1202	1144	40.40
8	A"	679	647	93.57
9	A"	209	199	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.234	0.616	0.000
H2	-1.167	1.171	0.000
Cl3	1.114	1.751	0.000
Br4	-0.234	-0.495	1.604
Br5	-0.234	-0.495	-1.604

	C1	H2	Cl3	Br4	Br5
C1		1.0859	1.7621	1.9508	1.9508
H2	1.0859		2.3536	2.4937	2.4937
Cl3	1.7621	2.3536		3.0712	3.0712
Br4	1.9508	2.4937	3.0712		3.2074
Br5	1.9508	2.4937	3.0712	3.2074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	109.149	H2	C1	Br4	106.928
H2	C1	Br5	106.928	Cl3	C1	Br4	111.515
Cl3	C1	Br5	111.515	Br4	C1	Br5	110.583

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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