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	hartrees
Energy at 0K	-3172.823151
Energy at 298.15K	-3172.827758
HF Energy	-3172.823151
Nuclear repulsion energy	319.502951

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	3159	3056	0.31	79.42	0.21	0.35
2	A	1289	1247	9.14	3.37	0.53	0.70
3	A	1194	1155	63.13	1.87	0.38	0.55
4	A	1056	1021	190.03	1.95	0.75	0.86
5	A	750	726	204.63	4.10	0.50	0.67
6	A	641	621	66.47	14.26	0.09	0.17
7	A	413	399	0.65	5.08	0.15	0.26
8	A	301	292	0.15	2.91	0.41	0.58
9	A	217	210	0.04	3.73	0.41	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.574	0.462	0.419
Br2	-1.211	-0.187	-0.029
Cl3	1.838	-0.689	-0.068
F4	0.784	1.652	-0.205
H5	0.619	0.599	1.502

	C1	Br2	Cl3	F4	H5
C1		1.9511	1.7774	1.3598	1.0923
Br2	1.9511		3.0900	2.7183	2.5111
Cl3	1.7774	3.0900		2.5705	2.3687
F4	1.3598	2.7183	2.5705		2.0122
H5	1.0923	2.5111	2.3687	2.0122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.856	Br2	C1	F4	109.073
Br2	C1	H5	107.841	Cl3	C1	F4	109.322
Cl3	C1	H5	108.911	F4	C1	H5	109.812

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: TPSSh/aug-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	0.067
2	Br	0.286
3	Cl	-0.025
4	F	-0.322
5	H	-0.006

	x	y	z	Total
	0.034	-0.031	1.235	1.236
CHELPG
AIM
ESP

	x	y	z
x	9.702	-0.218	0.050
y	-0.218	6.942	0.157
z	0.050	0.157	6.078

<r²>	181.955
(<r²>)^1/2	13.489