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	hartrees
Energy at 0K	-5642.647061
Energy at 298.15K	-5642.654182
HF Energy	-5642.647061
Nuclear repulsion energy	579.420774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3072	4.47
2	A'	1238	1179	26.46
3	A'	763	726	134.78
4	A'	588	559	8.67
5	A'	289	275	0.03
6	A'	176	168	0.00
7	A"	1187	1130	43.36
8	A"	672	640	126.79
9	A"	208	198	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.620	0.000
H2	-1.159	1.191	0.000
Cl3	1.129	1.729	0.000
Br4	-0.237	-0.490	1.579
Br5	-0.237	-0.490	-1.579

	C1	H2	Cl3	Br4	Br5
C1		1.0842	1.7603	1.9300	1.9300
H2	1.0842		2.3505	2.4838	2.4838
Cl3	1.7603	2.3505		3.0474	3.0474
Br4	1.9300	2.4838	3.0474		3.1577
Br5	1.9300	2.4838	3.0474	3.1577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	109.127	H2	C1	Br4	107.648
H2	C1	Br5	107.648	Cl3	C1	Br4	111.251
Cl3	C1	Br5	111.251	Br4	C1	Br5	109.777

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

using model chemistry: mPW1PW91/6-31+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	-0.385
2	H	0.275
3	Cl	0.138
4	Br	-0.014
5	Br	-0.014

	x	y	z	Total
	-0.934	0.507	0.000	1.063
CHELPG
AIM
ESP

	x	y	z
x	7.516	1.341	0.000
y	1.341	8.916	0.000
z	0.000	0.000	10.806

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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