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	hartrees
Energy at 0K	-9990.854764
Energy at 298.15K
HF Energy	-9990.854764
Nuclear repulsion energy	885.300893

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	1287	1131	135.63	1.99	0.44	0.61
2	A	818	719	214.17	4.83	0.44	0.61
3	A	776	682	239.24	7.38	0.74	0.85
4	A	456	401	9.27	7.95	0.02	0.03
5	A	341	300	0.65	3.53	0.72	0.84
6	A	295	260	1.03	3.99	0.73	0.84
7	A	244	214	0.92	7.30	0.26	0.42
8	A	176	154	0.85	4.19	0.68	0.81
9	A	142	125	0.15	4.14	0.66	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.445	0.431	0.397
F2	0.555	0.681	1.734
Cl3	0.746	2.075	-0.493
Br4	1.829	-0.843	-0.157
I5	-1.592	-0.273	-0.078

	C1	F2	Cl3	Br4	I5
C1		1.3649	1.8942	1.9606	2.2064
F2	1.3649		2.6343	2.7420	2.9672
Cl3	1.8942	2.6343		3.1305	3.3399
Br4	1.9606	2.7420	3.1305		3.4687
I5	2.2064	2.9672	3.3399	3.4687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.733	F2	C1	Br4	109.784
F2	C1	I5	110.135	Cl3	C1	Br4	108.595
Cl3	C1	I5	108.839	Br4	C1	I5	112.566

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: mPW1PW91/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	0.036
2	F	-0.019
3	Cl	-0.149
4	Br	0.057
5	I	0.075

	x	y	z	Total
	-0.021	-1.113	1.041	1.524
CHELPG
AIM
ESP

	x	y	z
x	6.673	0.320	0.040
y	0.320	4.479	-0.180
z	0.040	-0.180	2.045

<r²>	445.950
(<r²>)^1/2	21.118