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	hartrees
Energy at 0K	-3513.089232
Energy at 298.15K	-3513.093439
HF Energy	-3512.845857
Nuclear repulsion energy	378.213073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3126	0.59
2	A'	1223	1168	34.74
3	A'	701	669	105.42
4	A'	555	529	5.05
5	A'	296	282	0.29
6	A'	207	197	0.70
7	A"	1229	1174	18.54
8	A"	676	645	116.71
9	A"	203	194	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.680	-0.107	0.000
H2	-1.618	0.431	0.000
Br3	0.823	1.169	0.000
Cl4	-0.680	-1.197	1.535
Cl5	-0.680	-1.197	-1.535

	C1	H2	Br3	Cl4	Cl5
C1		1.0814	1.9718	1.8823	1.8823
H2	1.0814		2.5504	2.4261	2.4261
Br3	1.9718	2.5504		3.1955	3.1955
Cl4	1.8823	2.4261	3.1955		3.0693
Cl5	1.8823	2.4261	3.1955	3.0693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.832	H2	C1	Cl4	106.753
H2	C1	Cl5	106.753	Br3	C1	Cl4	111.999
Br3	C1	Cl5	111.999	Cl4	C1	Cl5	109.239

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

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

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