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	hartrees
Energy at 0K	-3531.090586
Energy at 298.15K
HF Energy	-3529.955657
Nuclear repulsion energy	399.303784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3073	2.63
2	A'	1225	1172	29.08
3	A'	776	743	106.40
4	A'	636	609	9.81
5	A'	341	326	0.12
6	A'	230	220	0.05
7	A"	1255	1201	16.54
8	A"	812	777	118.62
9	A"	222	213	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.666	-0.126	0.000
H2	-1.567	0.466	0.000
Br3	0.806	1.093	0.000
Cl4	-0.666	-1.117	1.444
Cl5	-0.666	-1.117	-1.444

	C1	H2	Br3	Cl4	Cl5
C1		1.0784	1.9112	1.7513	1.7513
H2	1.0784		2.4539	2.3246	2.3246
Br3	1.9112	2.4539		3.0224	3.0224
Cl4	1.7513	2.3246	3.0224		2.8889
Cl5	1.7513	2.3246	3.0224	2.8889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.016	H2	C1	Cl4	108.102
H2	C1	Cl5	108.102	Br3	C1	Cl4	111.151
Br3	C1	Cl5	111.151	Cl4	C1	Cl5	111.132

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

using model chemistry: MP2=FULL/cc-pVQZ

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=FULL/cc-pVQZ

States and conformations

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