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	hartrees
Energy at 0K	-9985.367332
Energy at 298.15K
HF Energy	-9985.367332
Nuclear repulsion energy	896.418188

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	1362	1112	93.64	8.15	0.35	0.52
2	A	960	784	198.25	13.82	0.71	0.83
3	A	916	748	202.28	18.02	0.74	0.85
4	A	495	404	8.95	10.98	0.02	0.04
5	A	365	298	1.91	3.36	0.62	0.76
6	A	318	260	2.09	3.57	0.70	0.82
7	A	272	222	1.41	7.15	0.26	0.42
8	A	198	162	1.24	3.87	0.68	0.81
9	A	157	128	0.23	3.77	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.429	0.430	0.368
F2	0.541	0.675	1.706
Cl3	0.736	2.047	-0.483
Br4	1.813	-0.830	-0.151
I5	-1.574	-0.272	-0.077

	C1	F2	Cl3	Br4	I5
C1		1.3651	1.8527	1.9426	2.1682
F2	1.3651		2.5910	2.7079	2.9232
Cl3	1.8527	2.5910		3.0903	3.2984
Br4	1.9426	2.7079	3.0903		3.4330
I5	2.1682	2.9232	3.2984	3.4330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.273	F2	C1	Br4	108.648
F2	C1	I5	109.549	Cl3	C1	Br4	109.004
Cl3	C1	I5	109.984	Br4	C1	I5	113.143

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: HF/STO-3G

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	0.076
2	F	-0.095
3	Cl	-0.150
4	Br	0.050
5	I	0.119

	x	y	z	Total
	-0.385	-1.171	0.549	1.350
CHELPG
AIM
ESP

	x	y	z
x	6.272	0.305	0.003
y	0.305	4.198	-0.190
z	0.003	-0.190	1.788

<r²>	436.785
(<r²>)^1/2	20.899