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	hartrees
Energy at 0K	-3170.896692
Energy at 298.15K	-3170.901420
HF Energy	-3169.921802
Nuclear repulsion energy	324.818766

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	3191	3030	0.07	72.06	0.18	0.31
2	A	1341	1274	10.12	3.34	0.47	0.64
3	A	1246	1183	59.43	1.96	0.36	0.53
4	A	1097	1042	172.86	2.12	0.69	0.82
5	A	816	775	183.93	3.19	0.64	0.78
6	A	689	654	41.25	12.94	0.07	0.12
7	A	435	413	0.66	4.23	0.13	0.24
8	A	323	307	0.18	2.17	0.43	0.60
9	A	231	220	0.01	2.47	0.39	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.558	0.454	0.412
Br2	-1.187	-0.185	-0.029
Cl3	1.804	-0.681	-0.067
F4	0.768	1.636	-0.201
H5	0.604	0.589	1.485

	C1	Br2	Cl3	F4	H5
C1		1.9100	1.7521	1.3478	1.0827
Br2	1.9100		3.0322	2.6774	2.4689
Cl3	1.7521	3.0322		2.5416	2.3375
F4	1.3478	2.6774	2.5416		1.9913
H5	1.0827	2.4689	2.3375	1.9913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.715	Br2	C1	F4	109.330
Br2	C1	H5	107.961	Cl3	C1	F4	109.460
Cl3	C1	H5	108.790	F4	C1	H5	109.551

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2/aug-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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