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	hartrees
Energy at 0K	-3170.565133
Energy at 298.15K	-3170.569814
HF Energy	-3170.565133
Nuclear repulsion energy	321.892342

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	3192	3037	3.80	79.23	0.26	0.42
2	A	1348	1283	21.21	5.61	0.75	0.86
3	A	1242	1182	77.03	4.44	0.66	0.80
4	A	1163	1106	186.20	1.24	0.72	0.83
5	A	785	747	213.08	4.28	0.58	0.74
6	A	664	632	66.45	10.47	0.14	0.25
7	A	429	408	1.30	4.52	0.28	0.43
8	A	314	299	0.17	3.08	0.52	0.68
9	A	228	217	0.08	4.75	0.50	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.466	0.411
Br2	-1.202	-0.185	-0.028
Cl3	1.825	-0.684	-0.067
F4	0.778	1.637	-0.203
H5	0.608	0.590	1.491

	C1	Br2	Cl3	F4	H5
C1		1.9413	1.7661	1.3386	1.0871
Br2	1.9413		3.0686	2.6969	2.4874
Cl3	1.7661	3.0686		2.5502	2.3518
F4	1.3386	2.6969	2.5502		1.9987
H5	1.0871	2.4874	2.3518	1.9987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.637	Br2	C1	F4	109.236
Br2	C1	H5	107.033	Cl3	C1	F4	109.681
Cl3	C1	H5	108.685	F4	C1	H5	110.540

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

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

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	0.060
2	Br	-0.066
3	Cl	0.022
4	F	-0.230
5	H	0.214

	x	y	z	Total
	0.009	0.160	1.280	1.290
CHELPG
AIM
ESP

	x	y	z
x	7.577	-0.302	0.049
y	-0.302	4.895	0.295
z	0.049	0.295	4.053

<r²>	179.274
(<r²>)^1/2	13.389