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	hartrees
Energy at 0K	-5638.318307
Energy at 298.15K	-5638.325478
HF Energy	-5637.719557
Nuclear repulsion energy	577.672416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	3079	3.50
2	A'	1284	1196	29.76
3	A'	807	752	97.36
4	A'	592	551	6.43
5	A'	293	273	0.09
6	A'	179	167	0.02
7	A"	1222	1138	46.43
8	A"	691	644	90.30
9	A"	213	198	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	0.626	0.000
H2	-1.155	1.196	0.000
Cl3	1.136	1.724	0.000
Br4	-0.239	-0.489	1.586
Br5	-0.239	-0.489	-1.586

	C1	H2	Cl3	Br4	Br5
C1		1.0784	1.7588	1.9390	1.9390
H2	1.0784		2.3504	2.4885	2.4885
Cl3	1.7588	2.3504		3.0498	3.0498
Br4	1.9390	2.4885	3.0498		3.1718
Br5	1.9390	2.4885	3.0498	3.1718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	109.529	H2	C1	Br4	107.682
H2	C1	Br5	107.682	Cl3	C1	Br4	111.038
Cl3	C1	Br5	111.038	Br4	C1	Br5	109.754

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)

using model chemistry: MP3=FULL/6-31+G**

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 CHClBr2 (Methane, dibromochloro-)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)