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	hartrees
Energy at 0K	-3171.085518
Energy at 298.15K	-3171.090260
HF Energy	-3169.921176
Nuclear repulsion energy	325.222962

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	3204	3066	0.25	68.12	0.20	0.33
2	A	1350	1292	10.67	3.11	0.58	0.73
3	A	1255	1201	60.97	1.91	0.41	0.59
4	A	1110	1062	172.05	1.61	0.72	0.84
5	A	821	786	184.95	3.59	0.71	0.83
6	A	694	664	41.47	10.72	0.09	0.16
7	A	437	418	0.69	3.91	0.18	0.31
8	A	326	312	0.16	2.35	0.48	0.65
9	A	233	223	0.01	2.84	0.46	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.560	0.455	0.410
Br2	-1.186	-0.184	-0.028
Cl3	1.801	-0.681	-0.067
F4	0.770	1.633	-0.201
H5	0.604	0.588	1.480

	C1	Br2	Cl3	F4	H5
C1		1.9100	1.7486	1.3435	1.0799
Br2	1.9100		3.0283	2.6753	2.4653
Cl3	1.7486	3.0283		2.5368	2.3315
F4	1.3435	2.6753	2.5368		1.9865
H5	1.0799	2.4653	2.3315	1.9865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.660	Br2	C1	F4	109.394
Br2	C1	H5	107.839	Cl3	C1	F4	109.559
Cl3	C1	H5	108.723	F4	C1	H5	109.632

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2=FULL/cc-pVQZ

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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