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	hartrees
Energy at 0K	-3491.885613
Energy at 298.15K	-3491.889944
HF Energy	-3491.792954
Nuclear repulsion energy	384.805451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3409	3031	0.09
2	A'	1329	1181	38.82
3	A'	885	786	79.65
4	A'	661	588	14.56
5	A'	342	304	2.96
6	A'	228	202	2.15
7	A"	1327	1180	27.94
8	A"	905	805	86.32
9	A"	223	198	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.654	-0.122	0.000
H2	-1.630	0.420	0.000
Br3	0.795	1.158	0.000
Cl4	-0.654	-1.183	1.510
Cl5	-0.654	-1.183	-1.510

	C1	H2	Br3	Cl4	Cl5
C1		1.1160	1.9332	1.8455	1.8455
H2	1.1160		2.5348	2.4083	2.4083
Br3	1.9332	2.5348		3.1398	3.1398
Cl4	1.8455	2.4083	3.1398		3.0200
Cl5	1.8455	2.4083	3.1398	3.0200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.536	H2	C1	Cl4	106.193
H2	C1	Cl5	106.193	Br3	C1	Cl4	112.368
Br3	C1	Cl5	112.368	Cl4	C1	Cl5	109.813

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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