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	hartrees
Energy at 0K	-3465.909754
Energy at 298.15K
HF Energy	-3465.909754
Nuclear repulsion energy	594.784783

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	1220	1106	169.53	14.93	0.30	0.46
2	A	885	802	191.74	19.58	0.54	0.70
3	A	816	739	203.30	29.78	0.67	0.80
4	A	492	446	0.34	10.83	0.03	0.06
5	A	360	326	0.05	4.05	0.36	0.53
6	A	305	277	0.59	3.13	0.67	0.80
7	A	268	243	0.34	8.83	0.14	0.25
8	A	196	178	0.05	2.99	0.59	0.74
9	A	148	134	0.10	2.76	0.52	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.427	0.474	0.347
F2	0.517	0.684	1.645
Cl3	0.712	1.998	-0.476
Br4	1.785	-0.814	-0.140
I5	-1.543	-0.273	-0.073

	C1	F2	Cl3	Br4	I5
C1		1.3180	1.7555	1.9343	2.1480
F2	1.3180		2.5023	2.6532	2.8477
Cl3	1.7555	2.5023		3.0290	3.2254
Br4	1.9343	2.6532	3.0290		3.3729
I5	2.1480	2.8477	3.2254	3.3729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.166	F2	C1	Br4	107.828
F2	C1	I5	108.097	Cl3	C1	Br4	110.259
Cl3	C1	I5	111.038	Br4	C1	I5	111.320

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: HF/Def2TZVPP

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	0.235
2	F	-0.185
3	Cl	-0.046
4	Br	-0.039
5	I	0.035

	x	y	z	Total
	-0.504	-0.283	-0.502	0.766
CHELPG
AIM
ESP

	x	y	z
x	13.225	0.193	-0.084
y	0.193	10.685	-0.231
z	-0.084	-0.231	7.940

<r²>	353.664
(<r²>)^1/2	18.806