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	hartrees
Energy at 0K	-3172.893764
Energy at 298.15K	-3172.898257
HF Energy	-3172.893764
Nuclear repulsion energy	314.322234

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	3080	3080	0.31	81.78	0.21	0.35
2	A	1245	1245	7.64	3.95	0.49	0.66
3	A	1149	1149	59.33	1.90	0.31	0.48
4	A	988	988	188.74	1.77	0.74	0.85
5	A	693	693	197.92	3.96	0.34	0.51
6	A	602	602	82.84	14.71	0.08	0.15
7	A	394	394	0.56	6.48	0.13	0.23
8	A	286	286	0.97	3.39	0.37	0.54
9	A	206	206	0.11	4.61	0.35	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.587	0.468	0.422
Br2	-1.234	-0.189	-0.029
Cl3	1.874	-0.697	-0.069
F4	0.798	1.672	-0.207
H5	0.630	0.607	1.511

	C1	Br2	Cl3	F4	H5
C1		1.9877	1.8040	1.3740	1.0987
Br2	1.9877		3.1493	2.7611	2.5453
Cl3	1.8040	3.1493		2.6053	2.3964
F4	1.3740	2.7611	2.6053		2.0277
H5	1.0987	2.5453	2.3964	2.0277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.224	Br2	C1	F4	109.069
Br2	C1	H5	107.594	Cl3	C1	F4	109.382
Cl3	C1	H5	108.859	F4	C1	H5	109.675

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: BLYP/daug-cc-pVDZ

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	0.360
2	Br	0.277
3	Cl	0.240
4	F	-0.443
5	H	-0.435

	x	y	z	Total
	0.026	-0.046	1.203	1.204
CHELPG
AIM
ESP

	x	y	z
x	10.617	-0.255	0.035
y	-0.255	7.634	0.153
z	0.035	0.153	6.702

<r²>	187.772
(<r²>)^1/2	13.703