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	hartrees
Energy at 0K	-3169.922552
Energy at 298.15K	-3169.927397
HF Energy	-3169.922552
Nuclear repulsion energy	324.417050

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	3335	3029	0.63	67.18	0.20	0.34
2	A	1468	1333	18.72	4.29	0.39	0.56
3	A	1353	1229	88.21	3.11	0.36	0.53
4	A	1229	1116	199.34	4.02	0.53	0.69
5	A	860	781	208.43	6.57	0.70	0.83
6	A	717	651	50.90	19.26	0.11	0.20
7	A	463	420	1.02	5.12	0.14	0.24
8	A	345	314	0.15	2.81	0.38	0.55
9	A	242	220	0.03	2.95	0.36	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.567	0.462	0.406
Br2	-1.196	-0.185	-0.028
Cl3	1.819	-0.674	-0.066
F4	0.768	1.616	-0.202
H5	0.609	0.595	1.468

	C1	Br2	Cl3	F4	H5
C1		1.9270	1.7550	1.3197	1.0715
Br2	1.9270		3.0546	2.6703	2.4706
Cl3	1.7550	3.0546		2.5229	2.3295
F4	1.3197	2.6703	2.5229		1.9638
H5	1.0715	2.4706	2.3295	1.9638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.030	Br2	C1	F4	109.230
Br2	C1	H5	107.511	Cl3	C1	F4	109.464
Cl3	C1	H5	108.586	F4	C1	H5	109.988

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.203
2	Br	0.064
3	Cl	-0.121
4	F	-0.535
5	H	0.389

	x	y	z	Total
	0.035	-0.022	1.326	1.326
CHELPG
AIM
ESP

	x	y	z
x	9.017	-0.212	0.054
y	-0.212	6.501	0.160
z	0.054	0.160	5.910

<r²>	177.791
(<r²>)^1/2	13.334