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	hartrees
Energy at 0K	-166.630501
Energy at 298.15K	-166.634984
HF Energy	-166.630501
Nuclear repulsion energy	84.237253

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	3226	3101	6.70	95.10	0.20	0.34
2	A	1293	1242	15.53	7.78	0.73	0.84
3	A	1218	1171	64.52	3.77	0.75	0.86
4	A	1003	964	207.93	2.78	0.35	0.52
5	A	698	670	213.18	8.84	0.51	0.68
6	A	611	587	60.23	13.75	0.23	0.37
7	A	383	368	2.12	8.43	0.34	0.51
8	A	289	277	0.12	5.71	0.63	0.78
9	A	211	203	0.09	10.24	0.59	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.581	0.473	0.432
Br2	-1.251	-0.195	-0.030
Cl3	1.909	-0.704	-0.070
F4	0.800	1.706	-0.207
H5	0.637	0.605	1.510

	C1	Br2	Cl3	F4	H5
C1		2.0037	1.8444	1.4062	1.0873
Br2	2.0037		3.2007	2.8022	2.5640
Cl3	1.8444	3.2007		2.6569	2.4143
F4	1.4062	2.8022	2.6569		2.0462
H5	1.0873	2.5640	2.4143	2.0462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.494	Br2	C1	F4	109.272
Br2	C1	H5	108.427	Cl3	C1	F4	108.897
Cl3	C1	H5	108.086	F4	C1	H5	109.629

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3LYP/LANL2DZ

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	-0.222
2	Br	0.068
3	Cl	0.014
4	F	-0.179
5	H	0.319

	x	y	z	Total
	-0.367	-0.288	1.732	1.793
CHELPG
AIM
ESP

	x	y	z
x	7.415	-0.099	0.189
y	-0.099	3.610	0.472
z	0.189	0.472	2.197

<r²>	104.224
(<r²>)^1/2	10.209