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	hartrees
Energy at 0K	-5647.115285
Energy at 298.15K	-5647.122347
HF Energy	-5647.115285
Nuclear repulsion energy	573.315943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3081	0.47
2	A'	1246	1200	26.40
3	A'	739	711	158.80
4	A'	571	550	8.26
5	A'	283	273	0.05
6	A'	167	161	0.00
7	A"	1186	1141	46.07
8	A"	653	629	143.37
9	A"	203	195	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.229	0.594	0.000
H2	-1.163	1.142	0.000
Cl3	1.093	1.764	0.000
Br4	-0.229	-0.496	1.607
Br5	-0.229	-0.496	-1.607

	C1	H2	Cl3	Br4	Br5
C1		1.0830	1.7657	1.9422	1.9422
H2	1.0830		2.3403	2.4779	2.4779
Cl3	1.7657	2.3403		3.0725	3.0725
Br4	1.9422	2.4779	3.0725		3.2150
Br5	1.9422	2.4779	3.0725	3.2150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.075	H2	C1	Br4	106.507
H2	C1	Br5	106.507	Cl3	C1	Br4	111.835
Cl3	C1	Br5	111.835	Br4	C1	Br5	111.722

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

using model chemistry: B3PW91/6-311G*

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	-0.553
2	H	0.350
3	Cl	0.047
4	Br	0.078
5	Br	0.078

	x	y	z	Total
	-0.992	0.428	0.000	1.080
CHELPG
AIM
ESP

	x	y	z
x	5.791	1.670	0.000
y	1.670	7.746	0.000
z	0.000	0.000	9.737

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-311G*

States and conformations

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