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	hartrees
Energy at 0K	-3137.871410
Energy at 298.15K	-3137.875965
HF Energy	-3137.871410
Nuclear repulsion energy	315.264996

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	3350	3350	0.99	39.78	0.38	0.55
2	A	1419	1419	56.15	4.91	0.75	0.86
3	A	1300	1300	62.31	7.69	0.74	0.85
4	A	1274	1274	63.64	3.64	0.74	0.85
5	A	847	847	146.80	9.46	0.57	0.72
6	A	716	716	32.53	9.63	0.13	0.23
7	A	428	428	5.92	4.20	0.33	0.49
8	A	325	325	0.30	2.55	0.72	0.84
9	A	224	224	2.04	4.19	0.62	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.532	0.501	0.409
Br2	-1.217	-0.200	-0.029
Cl3	1.874	-0.699	-0.065
F4	0.769	1.700	-0.203
H5	0.614	0.593	1.518

	C1	Br2	Cl3	F4	H5
C1		1.9345	1.8620	1.3670	1.1164
Br2	1.9345		3.1309	2.7547	2.5251
Cl3	1.8620	3.1309		2.6453	2.4011
F4	1.3670	2.7547	2.6453		2.0530
H5	1.1164	2.5251	2.4011	2.0530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.094	Br2	C1	F4	111.952
Br2	C1	H5	108.734	Cl3	C1	F4	109.054
Cl3	C1	H5	104.655	F4	C1	H5	111.118

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: M06-2X/STO-3G

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	0.046
2	Br	0.038
3	Cl	-0.159
4	F	-0.049
5	H	0.124

	x	y	z	Total
	-0.817	1.251	1.175	1.901
CHELPG
AIM
ESP

	x	y	z
x	4.209	-0.183	0.078
y	-0.183	2.127	0.254
z	0.078	0.254	1.112

<r²>	184.493
(<r²>)^1/2	13.583