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	hartrees
Energy at 0K	-3173.020396
Energy at 298.15K	-3173.024880
HF Energy	-3173.020396
Nuclear repulsion energy	315.299561

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	0.31	78.83	0.21	0.34
2	A	1271	1271	8.63	3.90	0.47	0.64
3	A	1164	1164	59.04	2.12	0.28	0.44
4	A	1001	1001	188.35	1.77	0.73	0.84
5	A	688	688	192.42	3.68	0.34	0.51
6	A	602	602	86.71	14.38	0.09	0.16
7	A	397	397	0.65	6.43	0.13	0.23
8	A	288	288	1.19	3.51	0.36	0.53
9	A	206	206	0.13	4.52	0.35	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.589	0.468	0.417
Br2	-1.231	-0.188	-0.028
Cl3	1.868	-0.696	-0.068
F4	0.799	1.666	-0.204
H5	0.626	0.599	1.497

	C1	Br2	Cl3	F4	H5
C1		1.9854	1.7961	1.3651	1.0889
Br2	1.9854		3.1407	2.7543	2.5294
Cl3	1.7961	3.1407		2.5958	2.3808
F4	1.3651	2.7543	2.5958		2.0155
H5	1.0889	2.5294	2.3808	2.0155

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.215	Br2	C1	F4	109.185
Br2	C1	H5	107.091	Cl3	C1	F4	109.645
Cl3	C1	H5	108.741	F4	C1	H5	109.920

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: BLYP/daug-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	0.951
2	Br	-0.337
3	Cl	-0.441
4	F	-0.636
5	H	0.464

	x	y	z	Total
	0.051	-0.037	1.181	1.183
CHELPG
AIM
ESP

	x	y	z
x	10.613	-0.254	0.035
y	-0.254	7.621	0.149
z	0.035	0.149	6.703

<r²>	186.819
(<r²>)^1/2	13.668