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	hartrees
Energy at 0K	-3589.364207
Energy at 298.15K	-3589.367593
HF Energy	-3589.251189
Nuclear repulsion energy	507.447188

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'	1281	1139	115.18	2.91	0.08	0.15
2	A'	908	807	187.32	5.85	0.43	0.60
3	A'	516	459	9.46	9.52	0.01	0.02
4	A'	343	305	1.79	3.23	0.75	0.86
5	A'	301	268	2.79	5.29	0.36	0.53
6	A'	212	188	1.33	3.66	0.72	0.84
7	A"	904	803	186.75	8.84	0.75	0.86
8	A"	381	339	0.79	4.01	0.75	0.86
9	A"	201	179	0.34	3.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.510	0.179	0.000
Br2	-1.440	0.333	0.000
F3	1.101	1.418	0.000
Cl4	1.101	-0.750	1.514
Cl5	1.101	-0.750	-1.514

	C1	Br2	F3	Cl4	Cl5
C1		1.9552	1.3723	1.8716	1.8716
Br2	1.9552		2.7621	3.1489	3.1489
F3	1.3723	2.7621		2.6435	2.6435
Cl4	1.8716	3.1489	2.6435		3.0271
Cl5	1.8716	3.1489	2.6435	3.0271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.999	Br2	C1	Cl4	110.723
Br2	C1	Cl5	110.723	F3	C1	Cl4	108.173
F3	C1	Cl5	108.173	Cl4	C1	Cl5	107.939

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: MP2=FULL/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: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)