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	hartrees
Energy at 0K	-3527.923570
Energy at 298.15K
HF Energy	-3527.296134
Nuclear repulsion energy	394.124130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3234	3234
2	A'	1224	1224
3	A'	747	747
4	A'	610	610
5	A'	339	339
6	A'	228	228
7	A"	1280	1280
8	A"	796	796
9	A"	223	223

Atom	x (Å)	y (Å)	z (Å)
C1	-0.694	-0.118	0.000
H2	-1.580	0.503	0.000
Br3	0.838	1.094	0.000
Cl4	-0.694	-1.120	1.458
Cl5	-0.694	-1.120	-1.458

	C1	H2	Br3	Cl4	Cl5
C1		1.0829	1.9527	1.7689	1.7689
H2	1.0829		2.4890	2.3551	2.3551
Br3	1.9527	2.4890		3.0609	3.0609
Cl4	1.7689	2.3551	3.0609		2.9161
Cl5	1.7689	2.3551	3.0609	2.9161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.617	H2	C1	Cl4	108.966
H2	C1	Cl5	108.966	Br3	C1	Cl4	110.567
Br3	C1	Cl5	110.567	Cl4	C1	Cl5	111.031

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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(T)=FULL/6-31+G**

States and conformations

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