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	hartrees
Energy at 0K	-3172.814181
Energy at 298.15K	-3172.818839
HF Energy	-3172.814181
Nuclear repulsion energy	320.693377

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	3163	3163	0.27	75.66	0.20	0.34
2	A	1297	1297	8.98	3.60	0.49	0.66
3	A	1203	1203	60.36	1.96	0.34	0.51
4	A	1081	1081	188.41	1.81	0.68	0.81
5	A	772	772	199.71	3.35	0.54	0.70
6	A	655	655	59.07	14.44	0.08	0.15
7	A	423	423	0.64	4.98	0.14	0.24
8	A	311	311	0.08	2.72	0.39	0.57
9	A	222	222	0.02	3.41	0.37	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	0.461	0.415
Br2	-1.206	-0.186	-0.028
Cl3	1.832	-0.686	-0.068
F4	0.780	1.645	-0.204
H5	0.616	0.598	1.498

	C1	Br2	Cl3	F4	H5
C1		1.9435	1.7709	1.3521	1.0934
Br2	1.9435		3.0799	2.7075	2.5037
Cl3	1.7709	3.0799		2.5607	2.3619
F4	1.3521	2.7075	2.5607		2.0055
H5	1.0934	2.5037	2.3619	2.0055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.948	Br2	C1	F4	109.162
Br2	C1	H5	107.750	Cl3	C1	F4	109.426
Cl3	C1	H5	108.790	F4	C1	H5	109.733

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3PW91/daug-cc-pVDZ

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	0.245
2	Br	0.302
3	Cl	0.179
4	F	-0.498
5	H	-0.228

	x	y	z	Total
	0.017	-0.037	1.211	1.212
CHELPG
AIM
ESP

	x	y	z
x	9.720	-0.233	0.039
y	-0.233	7.069	0.157
z	0.039	0.157	6.295

<r²>	180.793
(<r²>)^1/2	13.446