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	hartrees
Energy at 0K	-5642.896554
Energy at 298.15K	-5642.903814
HF Energy	-5642.896554
Nuclear repulsion energy	578.389767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3049	3.46
2	A'	1340	1217	27.65
3	A'	835	759	108.37
4	A'	613	557	5.10
5	A'	303	275	0.09
6	A'	182	165	0.01
7	A"	1299	1180	47.74
8	A"	752	683	100.58
9	A"	218	198	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	0.591	0.000
H2	-1.145	1.143	0.000
Cl3	1.098	1.738	0.000
Br4	-0.231	-0.489	1.594
Br5	-0.231	-0.489	-1.594

	C1	H2	Cl3	Br4	Br5
C1		1.0686	1.7554	1.9251	1.9251
H2	1.0686		2.3208	2.4579	2.4579
Cl3	1.7554	2.3208		3.0440	3.0440
Br4	1.9251	2.4579	3.0440		3.1870
Br5	1.9251	2.4579	3.0440	3.1870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.056	H2	C1	Br4	106.862
H2	C1	Br5	106.862	Cl3	C1	Br4	111.514
Cl3	C1	Br5	111.514	Br4	C1	Br5	111.739

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

using model chemistry: HF/cc-pVQZ

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	-0.129
2	H	0.193
3	Cl	-0.031
4	Br	-0.016
5	Br	-0.016

	x	y	z	Total
	-0.940	0.514	0.000	1.071
CHELPG
AIM
ESP

	x	y	z
x	7.756	1.313	0.000
y	1.313	9.318	0.000
z	0.000	0.000	11.200

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/cc-pVQZ

States and conformations

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