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	hartrees
Energy at 0K	-3170.755957
Energy at 298.15K	-3170.760633
HF Energy	-3170.755957
Nuclear repulsion energy	322.581497

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	3206	3061	4.41	78.86	0.27	0.43
2	A	1356	1295	23.85	5.88	0.75	0.86
3	A	1249	1193	81.19	4.82	0.67	0.80
4	A	1167	1114	185.47	1.27	0.71	0.83
5	A	786	750	213.35	4.27	0.59	0.74
6	A	663	633	65.24	10.77	0.14	0.25
7	A	427	408	1.32	4.44	0.28	0.44
8	A	312	298	0.12	3.05	0.52	0.69
9	A	227	216	0.09	4.69	0.51	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.571	0.464	0.412
Br2	-1.199	-0.185	-0.028
Cl3	1.821	-0.682	-0.067
F4	0.775	1.634	-0.204
H5	0.609	0.593	1.489

	C1	Br2	Cl3	F4	H5
C1		1.9365	1.7625	1.3377	1.0857
Br2	1.9365		3.0614	2.6905	2.4853
Cl3	1.7625	3.0614		2.5452	2.3495
F4	1.3377	2.6905	2.5452		1.9944
H5	1.0857	2.4853	2.3495	1.9944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.623	Br2	C1	F4	109.150
Br2	C1	H5	107.270	Cl3	C1	F4	109.608
Cl3	C1	H5	108.825	F4	C1	H5	110.340

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B1B95/6-31G**

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	0.024
2	Br	-0.063
3	Cl	0.023
4	F	-0.228
5	H	0.244

	x	y	z	Total
	-0.009	0.130	1.272	1.278
CHELPG
AIM
ESP

	x	y	z
x	7.543	-0.301	0.048
y	-0.301	4.867	0.296
z	0.048	0.296	4.039

<r²>	178.531
(<r²>)^1/2	13.362