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	hartrees
Energy at 0K	-3173.074630
Energy at 298.15K	-3173.079257
HF Energy	-3173.074630
Nuclear repulsion energy	319.837600

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	3150	3052	0.56	71.80	0.21	0.35
2	A	1328	1286	10.82	3.45	0.57	0.73
3	A	1217	1179	64.35	2.19	0.35	0.52
4	A	1077	1043	187.63	1.46	0.71	0.83
5	A	749	726	198.42	3.92	0.62	0.77
6	A	644	624	66.40	12.77	0.12	0.21
7	A	420	407	0.65	4.98	0.18	0.30
8	A	308	298	0.26	3.24	0.43	0.60
9	A	219	212	0.04	4.08	0.43	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.579	0.463	0.411
Br2	-1.213	-0.186	-0.028
Cl3	1.840	-0.687	-0.067
F4	0.786	1.644	-0.202
H5	0.617	0.593	1.485

	C1	Br2	Cl3	F4	H5
C1		1.9555	1.7725	1.3463	1.0825
Br2	1.9555		3.0937	2.7151	2.4992
Cl3	1.7725	3.0937		2.5613	2.3544
F4	1.3463	2.7151	2.5613		1.9950
H5	1.0825	2.4992	2.3544	1.9950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.068	Br2	C1	F4	109.242
Br2	C1	H5	107.169	Cl3	C1	F4	109.661
Cl3	C1	H5	108.680	F4	C1	H5	109.979

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3LYP/cc-pVQZ

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	0.147
2	Br	-0.024
3	Cl	-0.036
4	F	-0.194
5	H	0.107

	x	y	z	Total
	0.049	-0.038	1.210	1.212
CHELPG
AIM
ESP

	x	y	z
x	9.359	-0.247	0.059
y	-0.247	6.443	0.220
z	0.059	0.220	5.566

<r²>	181.953
(<r²>)^1/2	13.489