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	hartrees
Energy at 0K	-3172.992238
Energy at 298.15K	-3172.996952
HF Energy	-3172.992238
Nuclear repulsion energy	322.739935

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	3188	3046	0.07	71.67	0.19	0.33
2	A	1341	1282	12.49	3.74	0.47	0.64
3	A	1235	1181	64.71	2.20	0.34	0.51
4	A	1137	1086	181.54	2.35	0.59	0.74
5	A	797	761	196.11	4.03	0.65	0.79
6	A	676	646	47.88	15.58	0.08	0.15
7	A	432	413	0.83	4.61	0.14	0.25
8	A	322	308	0.10	2.54	0.41	0.58
9	A	227	217	0.01	3.04	0.38	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.569	0.459	0.413
Br2	-1.199	-0.184	-0.028
Cl3	1.820	-0.682	-0.067
F4	0.777	1.633	-0.203
H5	0.613	0.595	1.487

	C1	Br2	Cl3	F4	H5
C1		1.9331	1.7599	1.3422	1.0829
Br2	1.9331		3.0602	2.6906	2.4870
Cl3	1.7599	3.0602		2.5426	2.3457
F4	1.3422	2.6906	2.5426		1.9904
H5	1.0829	2.4870	2.3457	1.9904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.840	Br2	C1	F4	109.137
Br2	C1	H5	107.747	Cl3	C1	F4	109.365
Cl3	C1	H5	108.866	F4	C1	H5	109.861

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.052
2	Br	0.007
3	Cl	-0.023
4	F	-0.270
5	H	0.338

	x	y	z	Total
	0.001	-0.106	1.247	1.251
CHELPG
AIM
ESP

	x	y	z
x	9.483	-0.236	0.038
y	-0.236	6.910	0.152
z	0.038	0.152	6.200

<r²>	178.952
(<r²>)^1/2	13.377