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	hartrees
Energy at 0K	-3173.317468
Energy at 298.15K	-3173.322147
HF Energy	-3173.317468
Nuclear repulsion energy	322.006109

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	3186	3049	1.62	79.89	0.24	0.39
2	A	1342	1284	18.43	4.91	0.75	0.86
3	A	1229	1176	78.36	2.64	0.60	0.75
4	A	1121	1073	224.35	1.25	0.67	0.80
5	A	780	746	221.63	5.31	0.67	0.80
6	A	662	634	63.59	10.61	0.18	0.30
7	A	429	411	1.09	4.34	0.32	0.48
8	A	316	302	0.10	3.61	0.57	0.73
9	A	222	212	0.04	5.62	0.54	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.570	0.463	0.408
Br2	-1.203	-0.186	-0.028
Cl3	1.828	-0.682	-0.067
F4	0.776	1.636	-0.202
H5	0.610	0.594	1.482

	C1	Br2	Cl3	F4	H5
C1		1.9376	1.7659	1.3383	1.0827
Br2	1.9376		3.0711	2.6954	2.4852
Cl3	1.7659	3.0711		2.5497	2.3473
F4	1.3383	2.6954	2.5497		1.9872
H5	1.0827	2.4852	2.3473	1.9872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.957	Br2	C1	F4	109.370
Br2	C1	H5	107.325	Cl3	C1	F4	109.675
Cl3	C1	H5	108.589	F4	C1	H5	109.881

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B1B95/TZVP

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	0.050
2	Br	-0.051
3	Cl	-0.038
4	F	-0.139
5	H	0.178

	x	y	z	Total
	-0.041	-0.107	1.321	1.326
CHELPG
AIM
ESP

	x	y	z
x	8.081	-0.171	0.115
y	-0.171	5.124	0.300
z	0.115	0.300	4.233

<r²>	179.630
(<r²>)^1/2	13.403