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	hartrees
Energy at 0K	-5642.699187
Energy at 298.15K	-5642.706434
HF Energy	-5642.699187
Nuclear repulsion energy	575.992943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3378	2907	1.45
2	A'	1322	1137	31.15
3	A'	828	712	126.14
4	A'	607	523	6.37
5	A'	302	260	0.10
6	A'	182	157	0.01
7	A"	1282	1103	54.26
8	A"	743	639	116.34
9	A"	218	188	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	0.593	0.000
H2	-1.154	1.154	0.000
Cl3	1.106	1.745	0.000
Br4	-0.232	-0.491	1.599
Br5	-0.232	-0.491	-1.599

	C1	H2	Cl3	Br4	Br5
C1		1.0793	1.7657	1.9322	1.9322
H2	1.0793		2.3364	2.4729	2.4729
Cl3	1.7657	2.3364		3.0574	3.0574
Br4	1.9322	2.4729	3.0574		3.1986
Br5	1.9322	2.4729	3.0574	3.1986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.979	H2	C1	Br4	106.963
H2	C1	Br5	106.963	Cl3	C1	Br4	111.463
Cl3	C1	Br5	111.463	Br4	C1	Br5	111.727

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

using model chemistry: ROHF/cc-pVDZ

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	-0.187
2	H	0.165
3	Cl	-0.023
4	Br	0.023
5	Br	0.023

	x	y	z	Total
	-1.058	0.459	0.000	1.153
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/cc-pVDZ

States and conformations

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