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	hartrees
Energy at 0K	-3169.397852
Energy at 298.15K	-3169.402368
HF Energy	-3169.291034
Nuclear repulsion energy	312.118436

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	3249	3249	2.48	88.73	0.26	0.41
2	A	1317	1317	16.83	9.14	0.75	0.86
3	A	1236	1236	75.12	7.96	0.74	0.85
4	A	1047	1047	158.51	2.12	0.64	0.78
5	A	701	701	213.28	8.98	0.49	0.66
6	A	619	619	54.38	12.68	0.20	0.33
7	A	383	383	2.32	7.74	0.33	0.49
8	A	293	293	0.25	4.97	0.64	0.78
9	A	214	214	0.24	8.54	0.58	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.565	0.483	0.437
Br2	-1.233	-0.198	-0.030
Cl3	1.891	-0.700	-0.070
F4	0.778	1.704	-0.211
H5	0.619	0.616	1.511

	C1	Br2	Cl3	F4	H5
C1		1.9793	1.8481	1.3987	1.0828
Br2	1.9793		3.1652	2.7745	2.5434
Cl3	1.8481	3.1652		2.6530	2.4183
F4	1.3987	2.7745	2.6530		2.0427
H5	1.0828	2.5434	2.4183	2.0427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.534	Br2	C1	F4	109.232
Br2	C1	H5	108.762	Cl3	C1	F4	108.804
Cl3	C1	H5	108.347	F4	C1	H5	110.153

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B2PLYP=FULL/6-31G

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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