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	hartrees
Energy at 0K	-1309.004068
Energy at 298.15K
HF Energy	-1309.004068
Nuclear repulsion energy	491.924707

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	1104	1104	157.01	1.69	0.44	0.61
2	A	772	772	212.66	3.43	0.34	0.51
3	A	697	697	237.81	7.28	0.54	0.70
4	A	456	456	0.81	8.12	0.03	0.05
5	A	325	325	0.26	3.06	0.40	0.57
6	A	274	274	0.18	2.66	0.71	0.83
7	A	243	243	0.29	7.72	0.16	0.27
8	A	173	173	0.06	3.12	0.61	0.76
9	A	130	130	0.06	3.08	0.55	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.435	0.482	0.353
F2	0.523	0.694	1.660
Cl3	0.714	1.990	-0.487
Br4	1.772	-0.818	-0.141
I5	-1.537	-0.271	-0.073

	C1	F2	Cl3	Br4	I5
C1		1.3271	1.7480	1.9288	2.1539
F2	1.3271		2.5149	2.6624	2.8595
Cl3	1.7480	2.5149		3.0204	3.2171
Br4	1.9288	2.6624	3.0204		3.3548
I5	2.1539	2.8595	3.2171	3.3548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.970	F2	C1	Br4	108.290
F2	C1	I5	108.102	Cl3	C1	Br4	110.368
Cl3	C1	I5	110.646	Br4	C1	I5	110.391

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: LSDA/cc-pVTZ-PP

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	-0.066
2	F	-0.062
3	Cl	0.005
4	Br	0.050
5	I	0.073

	x	y	z	Total
	-0.185	-0.153	-0.338	0.415
CHELPG
AIM
ESP

	x	y	z
x	13.690	0.191	-0.135
y	0.191	11.278	-0.315
z	-0.135	-0.315	8.246

<r²>	313.238
(<r²>)^1/2	17.699