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	hartrees
Energy at 0K	-5637.717962
Energy at 298.15K	-5637.725244
HF Energy	-5637.717962
Nuclear repulsion energy	580.108043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3420	2927	3.89
2	A'	1366	1170	37.91
3	A'	845	724	115.50
4	A'	619	530	7.17
5	A'	307	263	0.09
6	A'	190	162	0.03
7	A"	1317	1127	61.01
8	A"	741	635	109.10
9	A"	225	192	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.615	0.000
H2	-1.144	1.183	0.000
Cl3	1.126	1.723	0.000
Br4	-0.237	-0.488	1.580
Br5	-0.237	-0.488	-1.580

	C1	H2	Cl3	Br4	Br5
C1		1.0702	1.7567	1.9271	1.9271
H2	1.0702		2.3339	2.4721	2.4721
Cl3	1.7567	2.3339		3.0404	3.0404
Br4	1.9271	2.4721	3.0404		3.1602
Br5	1.9271	2.4721	3.0404	3.1602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.866	H2	C1	Br4	107.676
H2	C1	Br5	107.676	Cl3	C1	Br4	111.164
Cl3	C1	Br5	111.164	Br4	C1	Br5	110.157

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

using model chemistry: ROHF/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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Number	Element	Mulliken
1	C	-0.318
2	H	0.306
3	Cl	0.106
4	Br	-0.047
5	Br	-0.047

	x	y	z	Total
	-1.030	0.557	0.000	1.171
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: ROHF/6-31+G**

States and conformations

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