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	hartrees
Energy at 0K	-3169.798077
Energy at 298.15K	-3169.802756
HF Energy	-3169.798077
Nuclear repulsion energy	322.133242

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	3200	3041	4.30	78.38	0.27	0.43
2	A	1356	1288	23.27	5.80	0.75	0.86
3	A	1251	1189	80.16	4.75	0.67	0.80
4	A	1167	1109	184.50	1.25	0.71	0.83
5	A	790	750	212.48	4.13	0.58	0.73
6	A	666	633	65.59	10.40	0.14	0.25
7	A	430	409	1.30	4.44	0.28	0.44
8	A	315	299	0.15	3.04	0.52	0.69
9	A	229	218	0.08	4.69	0.51	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.465	0.411
Br2	-1.201	-0.185	-0.028
Cl3	1.824	-0.684	-0.067
F4	0.777	1.636	-0.203
H5	0.609	0.592	1.491

	C1	Br2	Cl3	F4	H5
C1		1.9397	1.7646	1.3382	1.0882
Br2	1.9397		3.0658	2.6948	2.4884
Cl3	1.7646	3.0658		2.5484	2.3521
F4	1.3382	2.6948	2.5484		1.9975
H5	1.0882	2.4884	2.3521	1.9975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.625	Br2	C1	F4	109.217
Br2	C1	H5	107.159	Cl3	C1	F4	109.669
Cl3	C1	H5	108.749	F4	C1	H5	110.393

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: PBE1PBE/6-31G*

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	0.010
2	Br	-0.062
3	Cl	0.025
4	F	-0.223
5	H	0.251

	x	y	z	Total
	0.009	0.168	1.270	1.281
CHELPG
AIM
ESP

	x	y	z
x	7.552	-0.303	0.046
y	-0.303	4.884	0.294
z	0.046	0.294	4.047

<r²>	179.060
(<r²>)^1/2	13.381