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	hartrees
Energy at 0K	-3530.398386
Energy at 298.15K	-3530.402806
HF Energy	-3529.818149
Nuclear repulsion energy	391.959158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3072	0.05
2	A'	1213	1164	38.96
3	A'	752	722	111.37
4	A'	613	588	14.85
5	A'	335	321	0.25
6	A'	226	217	0.03
7	A"	1250	1199	22.34
8	A"	801	768	125.34
9	A"	220	211	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.675	-0.138	0.000
H2	-1.592	0.463	0.000
Br3	0.817	1.119	0.000
Cl4	-0.675	-1.141	1.469
Cl5	-0.675	-1.141	-1.469

	C1	H2	Br3	Cl4	Cl5
C1		1.0960	1.9508	1.7795	1.7795
H2	1.0960		2.4965	2.3608	2.3608
Br3	1.9508	2.4965		3.0815	3.0815
Cl4	1.7795	2.3608	3.0815		2.9389
Cl5	1.7795	2.3608	3.0815	2.9389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.655	H2	C1	Cl4	108.005
H2	C1	Cl5	108.005	Br3	C1	Cl4	111.309
Br3	C1	Cl5	111.309	Cl4	C1	Cl5	111.332

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)