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	hartrees
Energy at 0K	-3531.129220
Energy at 298.15K
HF Energy	-3529.881396
Nuclear repulsion energy	398.026767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3208	3208	1.38	62.02	0.20	0.34
2	A'	1218	1218	31.18	3.09	0.58	0.73
3	A'	769	769	109.97	4.59	0.75	0.85
4	A'	631	631	9.84	8.83	0.03	0.06
5	A'	338	338	0.11	5.41	0.21	0.35
6	A'	228	228	0.04	3.64	0.58	0.74
7	A"	1246	1246	17.49	2.33	0.75	0.86
8	A"	805	805	122.82	2.92	0.75	0.86
9	A"	221	221	0.02	2.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.667	-0.131	0.000
H2	-1.569	0.460	0.000
Br3	0.807	1.099	0.000
Cl4	-0.667	-1.122	1.448
Cl5	-0.667	-1.122	-1.448

	C1	H2	Br3	Cl4	Cl5
C1		1.0784	1.9199	1.7545	1.7545
H2	1.0784		2.4606	2.3266	2.3266
Br3	1.9199	2.4606		3.0334	3.0334
Cl4	1.7545	2.3266	3.0334		2.8956
Cl5	1.7545	2.3266	3.0334	2.8956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.930	H2	C1	Cl4	108.037
H2	C1	Cl5	108.037	Br3	C1	Cl4	111.211
Br3	C1	Cl5	111.211	Cl4	C1	Cl5	111.214

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

using model chemistry: MP2=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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