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	hartrees
Energy at 0K	-5745.605548
Energy at 298.15K
HF Energy	-5745.605548
Nuclear repulsion energy	732.232030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1119	1074	204.45	1.29	0.68	0.81
2	A'	808	775	251.94	4.51	0.66	0.79
3	A'	473	454	1.29	6.49	0.03	0.07
4	A'	350	336	0.12	3.52	0.59	0.74
5	A'	270	259	0.33	7.88	0.23	0.38
6	A'	161	154	0.08	3.58	0.65	0.79
7	A"	757	726	263.93	6.73	0.75	0.86
8	A"	315	302	0.21	3.57	0.75	0.86
9	A"	196	188	0.08	3.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.134	0.514	0.000
F2	-1.246	1.245	0.000
Cl3	1.259	1.604	0.000
Br4	-0.134	-0.594	1.596
Br5	-0.134	-0.594	-1.596

	C1	F2	Cl3	Br4	Br5
C1		1.3306	1.7687	1.9432	1.9432
F2	1.3306		2.5304	2.6769	2.6769
Cl3	1.7687	2.5304		3.0528	3.0528
Br4	1.9432	2.6769	3.0528		3.1926
Br5	1.9432	2.6769	3.0528	3.1926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.638	F2	C1	Br4	108.251
F2	C1	Br5	108.251	Cl3	C1	Br4	110.573
Cl3	C1	Br5	110.573	Br4	C1	Br5	110.472

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: PBE1PBE/TZVP

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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	x	y	z	Total
	0.355	-0.385	0.000	0.524
CHELPG
AIM
ESP

	x	y	z
x	6.687	1.251	0.000
y	1.251	8.258	0.000
z	0.000	0.000	10.247

<r²>	341.248
(<r²>)^1/2	18.473

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: PBE1PBE/TZVP

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)