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	hartrees
Energy at 0K	-3591.592438
Energy at 298.15K
HF Energy	-3591.549548
Nuclear repulsion energy	506.353734

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'	1290	1290	132.73	1.35	0.24	0.39
2	A'	869	869	215.51	5.13	0.37	0.54
3	A'	504	504	10.51	10.42	0.01	0.02
4	A'	338	338	0.97	3.53	0.74	0.85
5	A'	291	291	2.26	5.98	0.34	0.51
6	A'	204	204	1.32	3.82	0.72	0.84
7	A"	854	854	212.21	7.50	0.75	0.86
8	A"	373	373	0.12	4.45	0.75	0.86
9	A"	194	194	0.28	3.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.508	0.188	0.000
Br2	-1.442	0.335	0.000
F3	1.103	1.418	0.000
Cl4	1.103	-0.753	1.518
Cl5	1.103	-0.753	-1.518

	C1	Br2	F3	Cl4	Cl5
C1		1.9554	1.3653	1.8830	1.8830
Br2	1.9554		2.7653	3.1565	3.1565
F3	1.3653	2.7653		2.6490	2.6490
Cl4	1.8830	3.1565	2.6490		3.0369
Cl5	1.8830	3.1565	2.6490	3.0369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	111.525	Br2	C1	Cl4	110.626
Br2	C1	Cl5	110.626	F3	C1	Cl4	108.218
F3	C1	Cl5	108.218	Cl4	C1	Cl5	107.490

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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 CBrCl2F (bromodichlorofluoromethane)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)