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	hartrees
Energy at 0K	-3173.240438
Energy at 298.15K	-3173.245114
HF Energy	-3173.240438
Nuclear repulsion energy	322.013712

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	3178	3054	3.36	85.52	0.24	0.38
2	A	1318	1267	20.50	4.85	0.74	0.85
3	A	1207	1160	73.71	3.48	0.64	0.78
4	A	1146	1102	211.00	1.16	0.70	0.83
5	A	782	752	217.37	4.09	0.61	0.76
6	A	660	634	61.86	10.68	0.16	0.28
7	A	428	411	1.08	4.55	0.29	0.45
8	A	314	302	0.20	3.26	0.53	0.70
9	A	224	215	0.07	5.50	0.53	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	0.463	0.409
Br2	-1.202	-0.185	-0.028
Cl3	1.826	-0.683	-0.067
F4	0.777	1.636	-0.203
H5	0.611	0.590	1.494

	C1	Br2	Cl3	F4	H5
C1		1.9385	1.7647	1.3389	1.0930
Br2	1.9385		3.0687	2.6953	2.4915
Cl3	1.7647	3.0687		2.5489	2.3524
F4	1.3389	2.6953	2.5489		2.0004
H5	1.0930	2.4915	2.3524	2.0004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.836	Br2	C1	F4	109.281
Br2	C1	H5	107.229	Cl3	C1	F4	109.667
Cl3	C1	H5	108.516	F4	C1	H5	110.280

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B1B95/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	0.089
2	Br	-0.022
3	Cl	-0.041
4	F	-0.148
5	H	0.121

	x	y	z	Total
	0.003	0.035	1.255	1.255
CHELPG
AIM
ESP

	x	y	z
x	7.424	-0.226	0.102
y	-0.226	4.558	0.342
z	0.102	0.342	3.639

<r²>	179.184
(<r²>)^1/2	13.386