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	hartrees
Energy at 0K	-5718.152174
Energy at 298.15K
HF Energy	-5717.937048
Nuclear repulsion energy	728.169268

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'	1099	1099	111.73	1.96	0.66	0.79
2	A'	743	743	231.33	4.45	0.75	0.86
3	A'	440	440	2.44	9.95	0.03	0.06
4	A'	324	324	0.03	3.65	0.66	0.79
5	A'	264	264	0.04	7.09	0.25	0.39
6	A'	162	162	0.03	2.98	0.65	0.79
7	A"	758	758	223.61	3.67	0.75	0.86
8	A"	293	293	0.30	3.23	0.75	0.86
9	A"	195	195	0.01	3.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.139	0.518	0.000
F2	-1.274	1.304	0.000
Cl3	1.296	1.593	0.000
Br4	-0.139	-0.599	1.590
Br5	-0.139	-0.599	-1.590

	C1	F2	Cl3	Br4	Br5
C1		1.3803	1.7929	1.9429	1.9429
F2	1.3803		2.5863	2.7267	2.7267
Cl3	1.7929	2.5863		3.0644	3.0644
Br4	1.9429	2.7267	3.0644		3.1792
Br5	1.9429	2.7267	3.0644	3.1792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.482	F2	C1	Br4	109.101
F2	C1	Br5	109.101	Cl3	C1	Br4	110.160
Cl3	C1	Br5	110.160	Br4	C1	Br5	109.806

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B2PLYP=FULL/3-21G*

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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All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)