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	hartrees
Energy at 0K	-5615.609399
Energy at 298.15K	-5615.616533
HF Energy	-5615.609399
Nuclear repulsion energy	562.109233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3420	3098	2.14
2	A'	1315	1191	29.19
3	A'	741	671	122.19
4	A'	564	511	4.09
5	A'	282	255	0.27
6	A'	175	159	0.08
7	A"	1294	1172	46.57
8	A"	755	684	84.25
9	A"	205	185	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.248	0.581	0.000
H2	-1.131	1.183	0.000
Cl3	1.176	1.774	0.000
Br4	-0.248	-0.498	1.638
Br5	-0.248	-0.498	-1.638

	C1	H2	Cl3	Br4	Br5
C1		1.0683	1.8580	1.9615	1.9615
H2	1.0683		2.3811	2.5074	2.5074
Cl3	1.8580	2.3811		3.1423	3.1423
Br4	1.9615	2.5074	3.1423		3.2769
Br5	1.9615	2.5074	3.1423	3.2769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	105.731	H2	C1	Br4	108.046
H2	C1	Br5	108.046	Cl3	C1	Br4	110.683
Cl3	C1	Br5	110.683	Br4	C1	Br5	113.295

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.864
2	H	0.372
3	Cl	0.072
4	Br	0.210
5	Br	0.210

	x	y	z	Total
	-1.659	-0.089	0.000	1.661
CHELPG
AIM
ESP

	x	y	z
x	4.116	1.906	0.000
y	1.906	6.128	0.000
z	0.000	0.000	8.318

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/3-21G

States and conformations

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