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	hartrees
Energy at 0K	-9990.338786
Energy at 298.15K
HF Energy	-9990.338786
Nuclear repulsion energy	885.660211

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	1276	1276	133.02	2.86	0.35	0.52
2	A	846	846	199.39	5.27	0.53	0.69
3	A	794	794	222.17	9.20	0.75	0.85
4	A	459	459	9.63	8.10	0.01	0.03
5	A	345	345	0.65	3.48	0.71	0.83
6	A	298	298	1.12	4.01	0.72	0.84
7	A	247	247	1.01	7.27	0.27	0.42
8	A	178	178	0.90	4.08	0.68	0.81
9	A	144	144	0.19	3.92	0.66	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.442	0.428	0.397
F2	0.555	0.679	1.738
Cl3	0.744	2.076	-0.493
Br4	1.828	-0.842	-0.157
I5	-1.590	-0.274	-0.078

	C1	F2	Cl3	Br4	I5
C1		1.3691	1.8964	1.9599	2.2015
F2	1.3691		2.6386	2.7433	2.9673
Cl3	1.8964	2.6386		3.1305	3.3375
Br4	1.9599	2.7433	3.1305		3.4657
I5	2.2015	2.9673	3.3375	3.4657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.696	F2	C1	Br4	109.712
F2	C1	I5	110.223	Cl3	C1	Br4	108.532
Cl3	C1	I5	108.833	Br4	C1	I5	112.649

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: wB97X-D/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	0.030
2	F	-0.025
3	Cl	-0.148
4	Br	0.062
5	I	0.081

	x	y	z	Total
	-0.021	-1.139	0.995	1.512
CHELPG
AIM
ESP

	x	y	z
x	6.504	0.287	0.029
y	0.287	4.452	-0.188
z	0.029	-0.188	2.048

<r²>	445.574
(<r²>)^1/2	21.109