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	hartrees
Energy at 0K	-3172.970951
Energy at 298.15K	-3172.975449
HF Energy	-3172.970951
Nuclear repulsion energy	315.649085

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	3075	3075	1.41	81.36	0.23	0.38
2	A	1276	1276	10.01	3.31	0.69	0.81
3	A	1166	1166	60.29	1.68	0.41	0.58
4	A	1008	1008	192.10	1.18	0.61	0.76
5	A	694	694	192.62	3.54	0.54	0.70
6	A	603	603	87.97	10.63	0.15	0.25
7	A	399	399	0.70	5.39	0.22	0.36
8	A	289	289	1.23	3.84	0.46	0.63
9	A	207	207	0.15	5.44	0.46	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.592	0.466	0.416
Br2	-1.230	-0.187	-0.028
Cl3	1.863	-0.696	-0.068
F4	0.801	1.664	-0.204
H5	0.627	0.596	1.497

	C1	Br2	Cl3	F4	H5
C1		1.9857	1.7898	1.3643	1.0897
Br2	1.9857		3.1357	2.7533	2.5278
Cl3	1.7898	3.1357		2.5918	2.3768
F4	1.3643	2.7533	2.5918		2.0152
H5	1.0897	2.5278	2.3768	2.0152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.210	Br2	C1	F4	109.138
Br2	C1	H5	106.922	Cl3	C1	F4	109.781
Cl3	C1	H5	108.828	F4	C1	H5	109.910

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: BLYP/Def2TZVPP

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	0.108
2	Br	-0.065
3	Cl	-0.068
4	F	-0.144
5	H	0.169

	x	y	z	Total
	0.149	-0.041	1.179	1.189
CHELPG
AIM
ESP

	x	y	z
x	9.420	-0.237	0.078
y	-0.237	6.283	0.244
z	0.078	0.244	5.285

<r²>	186.195
(<r²>)^1/2	13.645