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	hartrees
Energy at 0K	-5581.979744
Energy at 298.15K	-5581.986830
HF Energy	-5581.886494
Nuclear repulsion energy	564.742371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3397	3019	0.25
2	A'	1332	1184	29.55
3	A'	872	775	81.52
4	A'	624	555	10.82
5	A'	303	269	1.57
6	A'	183	163	0.35
7	A"	1334	1185	39.51
8	A"	846	752	67.89
9	A"	208	185	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.244	0.565	0.000
H2	-1.166	1.192	0.000
Cl3	1.159	1.782	0.000
Br4	-0.244	-0.498	1.628
Br5	-0.244	-0.498	-1.628

	C1	H2	Cl3	Br4	Br5
C1		1.1152	1.8572	1.9442	1.9442
H2	1.1152		2.3984	2.5213	2.5213
Cl3	1.8572	2.3984		3.1332	3.1332
Br4	1.9442	2.5213	3.1332		3.2560
Br5	1.9442	2.5213	3.1332	3.2560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	104.816	H2	C1	Br4	107.906
H2	C1	Br5	107.906	Cl3	C1	Br4	111.001
Cl3	C1	Br5	111.001	Br4	C1	Br5	113.719

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

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 CHClBr2 (Methane, dibromochloro-)

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

States and conformations

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