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	hartrees
Energy at 0K	-5747.112447
Energy at 298.15K
HF Energy	-5747.112447
Nuclear repulsion energy	733.120905

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'	1144	1100	201.91	0.96	0.61	0.76
2	A'	806	775	255.28	2.45	0.64	0.78
3	A'	470	452	1.41	7.64	0.03	0.05
4	A'	344	331	0.17	3.41	0.53	0.69
5	A'	269	258	0.21	7.90	0.23	0.38
6	A'	161	155	0.03	3.49	0.65	0.79
7	A"	752	723	263.46	3.72	0.75	0.86
8	A"	310	298	0.31	3.03	0.75	0.86
9	A"	197	189	0.04	3.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.134	0.514	0.000
F2	-1.247	1.246	0.000
Cl3	1.258	1.599	0.000
Br4	-0.134	-0.593	1.594
Br5	-0.134	-0.593	-1.594

	C1	F2	Cl3	Br4	Br5
C1		1.3323	1.7647	1.9407	1.9407
F2	1.3323		2.5292	2.6760	2.6760
Cl3	1.7647	2.5292		3.0468	3.0468
Br4	1.9407	2.6760	3.0468		3.1889
Br5	1.9407	2.6760	3.0468	3.1889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.700	F2	C1	Br4	108.253
F2	C1	Br5	108.253	Cl3	C1	Br4	110.534
Cl3	C1	Br5	110.534	Br4	C1	Br5	110.488

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B1B95/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	-0.060
2	F	-0.109
3	Cl	0.038
4	Br	0.065
5	Br	0.065

	x	y	z	Total
	0.265	-0.315	0.000	0.411
CHELPG
AIM
ESP

	x	y	z
x	5.913	1.291	0.000
y	1.291	7.393	0.000
z	0.000	0.000	9.246

<r²>	339.962
(<r²>)^1/2	18.438

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)