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	hartrees
Energy at 0K	-3172.946244
Energy at 298.15K	-3172.950844
HF Energy	-3172.946244
Nuclear repulsion energy	320.329871

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	3151	3151	0.24	76.56	0.20	0.34
2	A	1316	1316	10.01	3.65	0.48	0.64
3	A	1208	1208	62.47	2.03	0.31	0.48
4	A	1071	1071	190.40	1.86	0.70	0.82
5	A	747	747	203.26	3.44	0.51	0.67
6	A	644	644	66.28	14.73	0.08	0.15
7	A	415	415	0.67	5.36	0.13	0.24
8	A	304	304	0.22	2.94	0.39	0.56
9	A	214	214	0.03	3.52	0.37	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.575	0.463	0.414
Br2	-1.209	-0.186	-0.028
Cl3	1.834	-0.687	-0.068
F4	0.785	1.646	-0.203
H5	0.616	0.595	1.489

	C1	Br2	Cl3	F4	H5
C1		1.9489	1.7719	1.3505	1.0842
Br2	1.9489		3.0842	2.7125	2.4983
Cl3	1.7719	3.0842		2.5620	2.3563
F4	1.3505	2.7125	2.5620		1.9986
H5	1.0842	2.4983	2.3563	1.9986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.892	Br2	C1	F4	109.254
Br2	C1	H5	107.462	Cl3	C1	F4	109.540
Cl3	C1	H5	108.787	F4	C1	H5	109.870

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: TPSSh/daug-cc-pVTZ

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	1.389
2	Br	-0.501
3	Cl	-0.642
4	F	-0.661
5	H	0.416

	x	y	z	Total
	0.049	-0.005	1.205	1.206
CHELPG
AIM
ESP

	x	y	z
x	9.876	-0.232	0.041
y	-0.232	7.151	0.153
z	0.041	0.153	6.332

<r²>	181.200
(<r²>)^1/2	13.461