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	hartrees
Energy at 0K	-3172.967718
Energy at 298.15K	-3172.972419
HF Energy	-3172.967718
Nuclear repulsion energy	321.067267

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	3179	3035	1.73	77.80	0.25	0.39
2	A	1351	1291	19.62	4.86	0.75	0.86
3	A	1242	1186	82.58	2.71	0.61	0.76
4	A	1121	1071	225.70	1.34	0.71	0.83
5	A	786	751	218.42	5.98	0.70	0.83
6	A	670	640	55.01	10.71	0.17	0.30
7	A	431	412	1.07	4.40	0.31	0.48
8	A	321	307	0.06	3.54	0.59	0.74
9	A	226	216	0.03	5.44	0.54	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.568	0.468	0.409
Br2	-1.205	-0.188	-0.028
Cl3	1.836	-0.683	-0.066
F4	0.774	1.642	-0.203
H5	0.612	0.599	1.485

	C1	Br2	Cl3	F4	H5
C1		1.9403	1.7776	1.3391	1.0851
Br2	1.9403		3.0816	2.7011	2.4921
Cl3	1.7776	3.0816		2.5595	2.3557
F4	1.3391	2.7011	2.5595		1.9901
H5	1.0851	2.4921	2.3557	1.9901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.888	Br2	C1	F4	109.542
Br2	C1	H5	107.525	Cl3	C1	F4	109.614
Cl3	C1	H5	108.314	F4	C1	H5	109.917

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: wB97X-D/TZVP

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	0.060
2	Br	-0.051
3	Cl	-0.044
4	F	-0.141
5	H	0.176

	x	y	z	Total
	-0.100	-0.044	1.346	1.350
CHELPG
AIM
ESP

	x	y	z
x	8.030	-0.173	0.112
y	-0.173	5.120	0.300
z	0.112	0.300	4.230

<r²>	180.659
(<r²>)^1/2	13.441