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	hartrees
Energy at 0K	-3173.071084
Energy at 298.15K	-3173.075770
HF Energy	-3173.071084
Nuclear repulsion energy	321.757576

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	3180	3180	0.24	75.02	0.20	0.33
2	A	1306	1306	9.41	3.60	0.48	0.65
3	A	1214	1214	61.11	1.98	0.35	0.51
4	A	1096	1096	187.72	1.90	0.66	0.80
5	A	787	787	198.94	3.40	0.57	0.72
6	A	665	665	55.52	14.60	0.08	0.15
7	A	428	428	0.67	4.77	0.14	0.24
8	A	315	315	0.03	2.59	0.40	0.57
9	A	225	225	0.02	3.21	0.38	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.569	0.460	0.415
Br2	-1.202	-0.186	-0.028
Cl3	1.826	-0.683	-0.068
F4	0.776	1.640	-0.204
H5	0.614	0.597	1.497

	C1	Br2	Cl3	F4	H5
C1		1.9363	1.7661	1.3490	1.0921
Br2	1.9363		3.0685	2.6978	2.4972
Cl3	1.7661	3.0685		2.5535	2.3575
F4	1.3490	2.6978	2.5535		2.0027
H5	1.0921	2.4972	2.3575	2.0027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.867	Br2	C1	F4	109.093
Br2	C1	H5	107.817	Cl3	C1	F4	109.386
Cl3	C1	H5	108.843	F4	C1	H5	109.808

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: mPW1PW91/daug-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	0.186
2	Br	0.325
3	Cl	0.190
4	F	-0.506
5	H	-0.195

	x	y	z	Total
	0.009	-0.048	1.218	1.219
CHELPG
AIM
ESP

	x	y	z
x	9.621	-0.231	0.039
y	-0.231	7.020	0.155
z	0.039	0.155	6.271

<r²>	179.727
(<r²>)^1/2	13.406