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	hartrees
Energy at 0K	-3530.363183
Energy at 298.15K	-3530.367620
HF Energy	-3529.818334
Nuclear repulsion energy	393.241015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3054	0.03
2	A'	1211	1153	36.91
3	A'	758	722	117.92
4	A'	620	590	16.66
5	A'	338	322	0.23
6	A'	228	217	0.01
7	A"	1248	1188	20.95
8	A"	805	767	134.12
9	A"	222	211	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.673	-0.137	0.000
H2	-1.589	0.465	0.000
Br3	0.815	1.115	0.000
Cl4	-0.673	-1.137	1.465
Cl5	-0.673	-1.137	-1.465

	C1	H2	Br3	Cl4	Cl5
C1		1.0963	1.9447	1.7735	1.7735
H2	1.0963		2.4903	2.3562	2.3562
Br3	1.9447	2.4903		3.0710	3.0710
Cl4	1.7735	2.3562	3.0710		2.9296
Cl5	1.7735	2.3562	3.0710	2.9296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.597	H2	C1	Cl4	108.044
H2	C1	Cl5	108.044	Br3	C1	Cl4	111.281
Br3	C1	Cl5	111.281	Cl4	C1	Cl5	111.367

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

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

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