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	hartrees
Energy at 0K	-3530.434929
Energy at 298.15K
HF Energy	-3529.817997
Nuclear repulsion energy	391.381443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3185	3055
2	A'	1198	1149
3	A'	736	706
4	A'	605	580
5	A'	330	317
6	A'	224	214
7	A"	1235	1184
8	A"	782	750
9	A"	217	209

Atom	x (Å)	y (Å)	z (Å)
C1	-0.677	-0.137	0.000
H2	-1.594	0.464	0.000
Br3	0.819	1.120	0.000
Cl4	-0.677	-1.143	1.472
Cl5	-0.677	-1.143	-1.472

	C1	H2	Br3	Cl4	Cl5
C1		1.0970	1.9535	1.7825	1.7825
H2	1.0970		2.5001	2.3644	2.3644
Br3	1.9535	2.5001		3.0858	3.0858
Cl4	1.7825	2.3644	3.0858		2.9437
Cl5	1.7825	2.3644	3.0858	2.9437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.694	H2	C1	Cl4	108.017
H2	C1	Cl5	108.017	Br3	C1	Cl4	111.287
Br3	C1	Cl5	111.287	Cl4	C1	Cl5	111.318

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

using model chemistry: QCISD(T)=FULL/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(T)=FULL/cc-pVDZ

States and conformations

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