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	hartrees
Energy at 0K	-3631.820036
Energy at 298.15K
HF Energy	-3631.417126
Nuclear repulsion energy	522.312627

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'	1100	1100	204.08	0.80	0.62	0.77
2	A'	787	787	291.44	5.26	0.68	0.81
3	A'	502	502	2.30	8.92	0.01	0.03
4	A'	341	341	0.16	4.82	0.69	0.81
5	A'	306	306	0.40	7.54	0.27	0.43
6	A'	222	222	0.25	4.75	0.62	0.76
7	A"	827	827	282.10	2.53	0.75	0.86
8	A"	398	398	0.14	4.36	0.75	0.86
9	A"	207	207	0.05	4.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.532	0.126	0.000
Br2	-1.412	0.333	0.000
F3	1.075	1.350	0.000
Cl4	1.075	-0.723	1.461
Cl5	1.075	-0.723	-1.461

	C1	Br2	F3	Cl4	Cl5
C1		1.9549	1.3396	1.7743	1.7743
Br2	1.9549		2.6865	3.0711	3.0711
F3	1.3396	2.6865		2.5360	2.5360
Cl4	1.7743	3.0711	2.5360		2.9216
Cl5	1.7743	3.0711	2.5360	2.9216

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.799	Br2	C1	Cl4	110.788
Br2	C1	Cl5	110.788	F3	C1	Cl4	108.253
F3	C1	Cl5	108.253	Cl4	C1	Cl5	110.839

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)