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	hartrees
Energy at 0K	-1373.801315
Energy at 298.15K
HF Energy	-1372.987539
Nuclear repulsion energy	318.214656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3211	0.56
2	A'	1221	1221	34.98
3	A'	766	766	104.27
4	A'	624	624	10.53
5	A'	336	336	0.17
6	A'	226	226	0.08
7	A"	1258	1258	19.45
8	A"	808	808	114.98
9	A"	219	219	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.669	-0.131	0.000
H2	-1.572	0.462	0.000
Br3	0.810	1.105	0.000
Cl4	-0.669	-1.128	1.458
Cl5	-0.669	-1.128	-1.458

	C1	H2	Br3	Cl4	Cl5
C1		1.0795	1.9277	1.7664	1.7664
H2	1.0795		2.4672	2.3382	2.3382
Br3	1.9277	2.4672		3.0499	3.0499
Cl4	1.7664	2.3382	3.0499		2.9161
Cl5	1.7664	2.3382	3.0499	2.9161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.840	H2	C1	Cl4	108.047
H2	C1	Cl5	108.047	Br3	C1	Cl4	111.221
Br3	C1	Cl5	111.221	Cl4	C1	Cl5	111.258

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

using model chemistry: QCISD/cc-pVTZ-PP

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-pVTZ-PP

States and conformations

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