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	hartrees
Energy at 0K	-3172.438809
Energy at 298.15K	-3172.443480
HF Energy	-3172.438809
Nuclear repulsion energy	322.439308

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	3162	3162	0.25	75.20	0.20	0.33
2	A	1326	1326	10.23	3.69	0.46	0.63
3	A	1221	1221	59.32	2.17	0.32	0.48
4	A	1111	1111	187.57	1.98	0.63	0.77
5	A	782	782	196.80	3.13	0.60	0.75
6	A	664	664	56.38	14.36	0.08	0.15
7	A	430	430	0.66	4.77	0.14	0.24
8	A	316	316	0.05	2.68	0.39	0.56
9	A	223	223	0.02	3.09	0.37	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	0.460	0.409
Br2	-1.201	-0.184	-0.028
Cl3	1.821	-0.684	-0.067
F4	0.780	1.635	-0.202
H5	0.612	0.591	1.486

	C1	Br2	Cl3	F4	H5
C1		1.9364	1.7594	1.3404	1.0852
Br2	1.9364		3.0631	2.6952	2.4859
Cl3	1.7594	3.0631		2.5454	2.3445
F4	1.3404	2.6952	2.5454		1.9914
H5	1.0852	2.4859	2.3445	1.9914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.863	Br2	C1	F4	109.326
Br2	C1	H5	107.339	Cl3	C1	F4	109.661
Cl3	C1	H5	108.689	F4	C1	H5	109.925

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: HSEh1PBE/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	0.938
2	Br	-0.298
3	Cl	-0.481
4	F	-0.617
5	H	0.458

	x	y	z	Total
	0.037	-0.034	1.195	1.196
CHELPG
AIM
ESP

	x	y	z
x	9.665	-0.229	0.041
y	-0.229	7.039	0.154
z	0.041	0.154	6.292

<r²>	179.169
(<r²>)^1/2	13.385