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	hartrees
Energy at 0K	-80.917607
Energy at 298.15K	-80.921833
HF Energy	-80.716996
Nuclear repulsion energy	66.983788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3107	3.56
2	A'	1226	1181	37.29
3	A'	676	651	104.04
4	A'	561	540	10.95
5	A'	306	294	0.31
6	A'	212	204	0.31
7	A"	1237	1192	21.71
8	A"	700	674	104.90
9	A"	208	201	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.691	-0.136	0.000
H2	-1.622	0.434	0.000
Br3	0.836	1.172	0.000
Cl4	-0.691	-1.195	1.532
Cl5	-0.691	-1.195	-1.532

	C1	H2	Br3	Cl4	Cl5
C1		1.0922	2.0097	1.8620	1.8620
H2	1.0922		2.5663	2.4222	2.4222
Br3	2.0097	2.5663		3.2055	3.2055
Cl4	1.8620	2.4222	3.2055		3.0631
Cl5	1.8620	2.4222	3.2055	3.0631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.964	H2	C1	Cl4	107.260
H2	C1	Cl5	107.260	Br3	C1	Cl4	111.718
Br3	C1	Cl5	111.718	Cl4	C1	Cl5	110.676

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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