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	hartrees
Energy at 0K	-3172.886919
Energy at 298.15K	-3172.891615
HF Energy	-3172.886919
Nuclear repulsion energy	321.100475

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	3167	3017	3.15	84.13	0.23	0.38
2	A	1328	1265	20.63	4.69	0.74	0.85
3	A	1221	1163	78.18	3.45	0.64	0.78
4	A	1140	1086	211.79	1.23	0.73	0.84
5	A	789	751	216.46	4.51	0.67	0.80
6	A	670	638	53.12	11.02	0.15	0.27
7	A	429	409	1.05	4.65	0.28	0.44
8	A	319	303	0.10	3.24	0.55	0.71
9	A	228	217	0.05	5.32	0.54	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.569	0.468	0.411
Br2	-1.205	-0.187	-0.028
Cl3	1.833	-0.684	-0.067
F4	0.775	1.642	-0.204
H5	0.613	0.596	1.497

	C1	Br2	Cl3	F4	H5
C1		1.9406	1.7756	1.3415	1.0954
Br2	1.9406		3.0779	2.7015	2.4987
Cl3	1.7756	3.0779		2.5592	2.3614
F4	1.3415	2.7015	2.5592		2.0036
H5	1.0954	2.4987	2.3614	2.0036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.757	Br2	C1	F4	109.439
Br2	C1	H5	107.491	Cl3	C1	F4	109.588
Cl3	C1	H5	108.329	F4	C1	H5	110.208

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: wB97X-D/cc-pVDZ

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	0.096
2	Br	-0.024
3	Cl	-0.050
4	F	-0.150
5	H	0.128

	x	y	z	Total
	-0.060	0.076	1.288	1.292
CHELPG
AIM
ESP

	x	y	z
x	7.380	-0.228	0.099
y	-0.228	4.561	0.342
z	0.099	0.342	3.632

<r²>	180.175
(<r²>)^1/2	13.423