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	hartrees
Energy at 0K	-612.079669
Energy at 298.15K	-612.084157
HF Energy	-612.079669
Nuclear repulsion energy	133.254451

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	3222	3097	5.22	93.95	0.21	0.35
2	A	1290	1240	16.53	7.80	0.74	0.85
3	A	1212	1165	68.45	4.35	0.73	0.85
4	A	1000	961	205.60	2.39	0.40	0.57
5	A	696	669	223.25	8.13	0.54	0.70
6	A	617	593	58.50	15.06	0.19	0.31
7	A	382	367	1.97	8.38	0.33	0.49
8	A	291	279	0.11	5.32	0.64	0.78
9	A	211	203	0.08	9.83	0.59	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.571	0.473	0.432
Br2	-1.244	-0.198	-0.030
Cl3	1.908	-0.699	-0.070
F4	0.785	1.707	-0.207
H5	0.624	0.608	1.511

	C1	Br2	Cl3	F4	H5
C1		1.9901	1.8474	1.4062	1.0879
Br2	1.9901		3.1917	2.7889	2.5522
Cl3	1.8474	3.1917		2.6591	2.4194
F4	1.4062	2.7889	2.6591		2.0460
H5	1.0879	2.5522	2.4194	2.0460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.496	Br2	C1	F4	109.190
Br2	C1	H5	108.441	Cl3	C1	F4	108.873
Cl3	C1	H5	108.225	F4	C1	H5	109.580

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3LYP/SDD

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	-0.260
2	Br	0.085
3	Cl	0.038
4	F	-0.174
5	H	0.312

	x	y	z	Total
	-0.263	-0.317	1.735	1.783
CHELPG
AIM
ESP

	x	y	z
x	7.703	-0.010	0.216
y	-0.010	3.825	0.447
z	0.216	0.447	2.431

<r²>	145.408
(<r²>)^1/2	12.059