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	hartrees
Energy at 0K	-3172.955391
Energy at 298.15K	-3172.959883
HF Energy	-3172.955391
Nuclear repulsion energy	314.020415

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	3082	3075	2.07	84.40	0.25	0.40
2	A	1282	1278	14.76	5.14	0.75	0.86
3	A	1167	1164	74.39	2.39	0.60	0.75
4	A	1011	1008	219.59	1.31	0.38	0.55
5	A	684	683	210.98	5.04	0.50	0.67
6	A	600	598	97.07	9.93	0.21	0.35
7	A	397	396	1.12	5.89	0.29	0.45
8	A	288	288	1.64	4.54	0.56	0.72
9	A	205	205	0.13	7.49	0.51	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.589	0.475	0.416
Br2	-1.237	-0.190	-0.028
Cl3	1.879	-0.697	-0.068
F4	0.797	1.671	-0.205
H5	0.627	0.603	1.498

	C1	Br2	Cl3	F4	H5
C1		1.9933	1.8086	1.3635	1.0903
Br2	1.9933		3.1574	2.7623	2.5358
Cl3	1.8086	3.1574		2.6068	2.3898
F4	1.3635	2.7623	2.6068		2.0169
H5	1.0903	2.5358	2.3898	2.0169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.208	Br2	C1	F4	109.320
Br2	C1	H5	106.965	Cl3	C1	F4	109.735
Cl3	C1	H5	108.502	F4	C1	H5	110.063

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: BLYP/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	0.034
2	Br	-0.050
3	Cl	-0.030
4	F	-0.133
5	H	0.179

	x	y	z	Total
	0.023	-0.059	1.294	1.296
CHELPG
AIM
ESP

	x	y	z
x	8.910	-0.187	0.124
y	-0.187	5.488	0.322
z	0.124	0.322	4.388

<r²>	188.189
(<r²>)^1/2	13.718