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	hartrees
Energy at 0K	-3167.865817
Energy at 298.15K	-3167.870534
HF Energy	-3167.257471
Nuclear repulsion energy	322.011707

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	3250	3053	0.66	71.36	0.25	0.40
2	A	1350	1268	18.60	4.29	0.75	0.86
3	A	1287	1209	78.96	4.13	0.53	0.69
4	A	1071	1006	190.14	1.74	0.73	0.84
5	A	832	781	188.03	3.93	0.70	0.82
6	A	676	635	57.14	12.33	0.10	0.18
7	A	434	408	1.48	3.56	0.24	0.39
8	A	320	301	0.31	2.88	0.49	0.65
9	A	233	219	0.03	3.87	0.51	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.571	0.437	0.420
Br2	-1.202	-0.183	-0.029
Cl3	1.824	-0.680	-0.070
F4	0.780	1.641	-0.201
H5	0.612	0.588	1.492

	C1	Br2	Cl3	F4	H5
C1		1.9317	1.7483	1.3709	1.0834
Br2	1.9317		3.0667	2.6995	2.4897
Cl3	1.7483	3.0667		2.5487	2.3489
F4	1.3709	2.6995	2.5487		2.0009
H5	1.0834	2.4897	2.3489	2.0009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.789	Br2	C1	F4	108.457
Br2	C1	H5	108.001	Cl3	C1	F4	108.989
Cl3	C1	H5	109.855	F4	C1	H5	108.663

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2=FULL/6-31+G**

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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