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	hartrees
Energy at 0K	-3139.144469
Energy at 298.15K	-3139.148859
HF Energy	-3139.144469
Nuclear repulsion energy	308.392503

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	3173	3173	5.83	45.11	0.40	0.57
2	A	1351	1351	59.03	4.96	0.68	0.81
3	A	1220	1220	66.99	5.19	0.73	0.84
4	A	1215	1215	61.18	5.20	0.72	0.83
5	A	721	721	178.79	5.74	0.62	0.77
6	A	655	655	34.80	9.83	0.12	0.21
7	A	401	401	5.91	5.46	0.28	0.43
8	A	312	312	0.60	2.88	0.74	0.85
9	A	207	207	1.50	5.09	0.58	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.532	0.527	0.412
Br2	-1.245	-0.210	-0.030
Cl3	1.931	-0.707	-0.065
F4	0.771	1.732	-0.208
H5	0.624	0.611	1.534

	C1	Br2	Cl3	F4	H5
C1		1.9741	1.9252	1.3759	1.1289
Br2	1.9741		3.2147	2.8044	2.5717
Cl3	1.9252	3.2147		2.7050	2.4494
F4	1.3759	2.8044	2.7050		2.0767
H5	1.1289	2.5717	2.4494	2.0767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.058	Br2	C1	F4	112.452
Br2	C1	H5	108.876	Cl3	C1	F4	108.920
Cl3	C1	H5	103.560	F4	C1	H5	111.632

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B97D3/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	0.048
2	Br	0.031
3	Cl	-0.186
4	F	-0.013
5	H	0.120

	x	y	z	Total
	-0.983	1.606	1.086	2.174
CHELPG
AIM
ESP

	x	y	z
x	4.783	-0.189	0.082
y	-0.189	2.400	0.252
z	0.082	0.252	1.152

<r²>	192.072
(<r²>)^1/2	13.859