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	hartrees
Energy at 0K	-3170.378760
Energy at 298.15K	-3170.383464
HF Energy	-3169.759013
Nuclear repulsion energy	320.035237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3186	3056	6.99
2	A	1346	1292	22.86
3	A	1243	1192	81.23
4	A	1137	1091	191.66
5	A	803	770	183.91
6	A	669	642	47.59
7	A	429	412	1.23
8	A	319	306	0.10
9	A	229	219	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.464	0.413
Br2	-1.209	-0.187	-0.028
Cl3	1.837	-0.687	-0.068
F4	0.781	1.649	-0.204
H5	0.616	0.596	1.502

	C1	Br2	Cl3	F4	H5
C1		1.9476	1.7758	1.3515	1.0978
Br2	1.9476		3.0866	2.7131	2.5065
Cl3	1.7758	3.0866		2.5670	2.3667
F4	1.3515	2.7131	2.5670		2.0107
H5	1.0978	2.5065	2.3667	2.0107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.907	Br2	C1	F4	109.313
Br2	C1	H5	107.474	Cl3	C1	F4	109.595
Cl3	C1	H5	108.590	F4	C1	H5	109.927

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: QCISD/cc-pVDZ

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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