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	hartrees
Energy at 0K	-3170.591013
Energy at 298.15K	-3170.595700
HF Energy	-3170.591013
Nuclear repulsion energy	322.198804

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	3199	3045	0.55	76.68	0.25	0.40
2	A	1332	1267	14.90	4.46	0.73	0.84
3	A	1252	1192	75.31	3.93	0.53	0.69
4	A	1109	1055	207.41	1.33	0.75	0.86
5	A	793	755	218.58	4.09	0.66	0.80
6	A	667	634	62.77	12.96	0.09	0.17
7	A	431	410	0.98	4.12	0.24	0.39
8	A	318	303	0.04	2.97	0.49	0.66
9	A	228	217	0.02	4.20	0.51	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.566	0.452	0.414
Br2	-1.202	-0.186	-0.029
Cl3	1.830	-0.677	-0.068
F4	0.772	1.635	-0.202
H5	0.607	0.591	1.491

	C1	Br2	Cl3	F4	H5
C1		1.9307	1.7618	1.3496	1.0870
Br2	1.9307		3.0716	2.6906	2.4871
Cl3	1.7618	3.0716		2.5464	2.3525
F4	1.3496	2.6906	2.5464		1.9958
H5	1.0870	2.4871	2.3525	1.9958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.499	Br2	C1	F4	108.925
Br2	C1	H5	107.700	Cl3	C1	F4	109.138
Cl3	C1	H5	109.027	F4	C1	H5	109.510

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: mPW1PW91/6-31+G**

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	-0.119
2	Br	-0.044
3	Cl	0.095
4	F	-0.167
5	H	0.235

	x	y	z	Total
	-0.043	-0.128	1.331	1.338
CHELPG
AIM
ESP

	x	y	z
x	8.446	-0.235	0.044
y	-0.235	5.828	0.211
z	0.044	0.211	5.016

<r²>	179.609
(<r²>)^1/2	13.402