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	hartrees
Energy at 0K	-5581.888004
Energy at 298.15K	-5581.895239
HF Energy	-5581.888004
Nuclear repulsion energy	572.507432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3625	2960	0.62
2	A'	1434	1171	39.63
3	A'	956	780	103.84
4	A'	670	547	15.32
5	A'	324	265	2.04
6	A'	195	159	0.58
7	A"	1432	1169	46.45
8	A"	924	755	71.24
9	A"	224	183	2.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	0.557	0.000
H2	-1.148	1.169	0.000
Cl3	1.139	1.758	0.000
Br4	-0.240	-0.491	1.607
Br5	-0.240	-0.491	-1.607

	C1	H2	Cl3	Br4	Br5
C1		1.0953	1.8285	1.9187	1.9187
H2	1.0953		2.3610	2.4830	2.4830
Cl3	1.8285	2.3610		3.0894	3.0894
Br4	1.9187	2.4830	3.0894		3.2140
Br5	1.9187	2.4830	3.0894	3.2140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	104.913	H2	C1	Br4	107.790
H2	C1	Br5	107.790	Cl3	C1	Br4	111.042
Cl3	C1	Br5	111.042	Br4	C1	Br5	113.766

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

using model chemistry: HF/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	-0.099
2	H	0.127
3	Cl	-0.138
4	Br	0.055
5	Br	0.055

	x	y	z	Total
	-1.672	-0.245	0.000	1.690
CHELPG
AIM
ESP

	x	y	z
x	1.900	1.110	0.000
y	1.110	3.180	0.000
z	0.000	0.000	4.500

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/STO-3G

States and conformations

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