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	hartrees
Energy at 0K	-5643.242508
Energy at 298.15K	-5643.249643
HF Energy	-5642.675792
Nuclear repulsion energy	573.255461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3063	0.08
2	A'	1282	1228	26.88
3	A'	787	753	113.06
4	A'	580	555	4.89
5	A'	288	276	0.05
6	A'	172	165	0.01
7	A"	1219	1167	44.20
8	A"	693	664	97.50
9	A"	209	200	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	0.597	0.000
H2	-1.163	1.154	0.000
Cl3	1.101	1.759	0.000
Br4	-0.231	-0.495	1.607
Br5	-0.231	-0.495	-1.607

	C1	H2	Cl3	Br4	Br5
C1		1.0853	1.7672	1.9433	1.9433
H2	1.0853		2.3433	2.4838	2.4838
Cl3	1.7672	2.3433		3.0719	3.0719
Br4	1.9433	2.4838	3.0719		3.2144
Br5	1.9433	2.4838	3.0719	3.2144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.075	H2	C1	Br4	106.745
H2	C1	Br5	106.745	Cl3	C1	Br4	111.683
Cl3	C1	Br5	111.683	Br4	C1	Br5	111.595

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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