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	hartrees
Energy at 0K	-5643.269944
Energy at 298.15K	-5643.277060
HF Energy	-5642.698714
Nuclear repulsion energy	571.670871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3075	0.13
2	A'	1228	1178	24.58
3	A'	777	746	106.39
4	A'	575	551	5.26
5	A'	284	272	0.07
6	A'	171	164	0.01
7	A"	1188	1140	41.72
8	A"	691	663	98.05
9	A"	205	197	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.234	0.600	0.000
H2	-1.172	1.167	0.000
Cl3	1.115	1.758	0.000
Br4	-0.234	-0.495	1.611
Br5	-0.234	-0.495	-1.611

	C1	H2	Cl3	Br4	Br5
C1		1.0959	1.7782	1.9475	1.9475
H2	1.0959		2.3619	2.4972	2.4972
Cl3	1.7782	2.3619		3.0808	3.0808
Br4	1.9475	2.4972	3.0808		3.2211
Br5	1.9475	2.4972	3.0808	3.2211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.173	H2	C1	Br4	106.919
H2	C1	Br5	106.919	Cl3	C1	Br4	111.484
Cl3	C1	Br5	111.484	Br4	C1	Br5	111.584

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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