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	hartrees
Energy at 0K	-3135.355691
Energy at 298.15K	-3135.360268
HF Energy	-3135.259355
Nuclear repulsion energy	313.143085

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	3356	2983	3.12	36.83	0.36	0.53
2	A	1430	1271	45.23	5.81	0.73	0.84
3	A	1335	1186	70.79	7.72	0.74	0.85
4	A	1250	1111	55.01	4.06	0.63	0.77
5	A	876	779	120.48	11.20	0.61	0.76
6	A	718	638	29.00	10.13	0.12	0.21
7	A	430	382	5.96	4.28	0.33	0.50
8	A	329	293	0.56	2.67	0.71	0.83
9	A	228	203	1.96	4.24	0.62	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.540	0.496	0.414
Br2	-1.227	-0.201	-0.030
Cl3	1.889	-0.701	-0.066
F4	0.774	1.708	-0.205
H5	0.619	0.599	1.529

	C1	Br2	Cl3	F4	H5
C1		1.9498	1.8664	1.3807	1.1234
Br2	1.9498		3.1554	2.7709	2.5453
Cl3	1.8664	3.1554		2.6581	2.4181
F4	1.3807	2.7709	2.6581		2.0642
H5	1.1234	2.5453	2.4181	2.0642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.533	Br2	C1	F4	111.467
Br2	C1	H5	108.844	Cl3	C1	F4	108.970
Cl3	C1	H5	105.229	F4	C1	H5	110.626

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

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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