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	hartrees
Energy at 0K	-5585.107335
Energy at 298.15K	-5585.114181
HF Energy	-5585.107335
Nuclear repulsion energy	556.888448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	2995	0.87
2	A'	1218	1127	23.04
3	A'	713	659	139.99
4	A'	579	536	8.80
5	A'	277	256	0.94
6	A'	169	156	0.02
7	A"	1242	1149	36.93
8	A"	719	665	133.10
9	A"	188	174	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.248	0.551	0.000
H2	-1.164	1.192	0.000
Cl3	1.177	1.818	0.000
Br4	-0.248	-0.506	1.650
Br5	-0.248	-0.506	-1.650

	C1	H2	Cl3	Br4	Br5
C1		1.1184	1.9072	1.9594	1.9594
H2	1.1184		2.4240	2.5386	2.5386
Cl3	1.9072	2.4240		3.1865	3.1865
Br4	1.9594	2.5386	3.1865		3.3007
Br5	1.9594	2.5386	3.1865	3.3007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	103.386	H2	C1	Br4	108.000
H2	C1	Br5	108.000	Cl3	C1	Br4	110.989
Cl3	C1	Br5	110.989	Br4	C1	Br5	114.756

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.138
2	H	0.129
3	Cl	-0.138
4	Br	0.074
5	Br	0.074

	x	y	z	Total
	-1.654	-0.614	0.000	1.764
CHELPG
AIM
ESP

	x	y	z
x	2.142	1.415	0.000
y	1.415	3.730	0.000
z	0.000	0.000	5.377

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/STO-3G

States and conformations

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