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	hartrees
Energy at 0K	-3157.563264
Energy at 298.15K	-3157.567733
HF Energy	-3157.563264
Nuclear repulsion energy	310.074389

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	3198	3086	5.26	87.95	0.26	0.42
2	A	1327	1280	22.76	8.19	0.75	0.86
3	A	1214	1172	80.13	7.74	0.75	0.86
4	A	1132	1092	156.03	1.82	0.62	0.76
5	A	662	639	245.33	7.47	0.69	0.82
6	A	615	593	42.80	14.16	0.16	0.28
7	A	362	349	4.61	8.42	0.30	0.46
8	A	288	278	0.49	4.38	0.73	0.84
9	A	203	196	0.56	8.66	0.58	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.548	0.522	0.428
Br2	-1.242	-0.205	-0.030
Cl3	1.918	-0.702	-0.066
F4	0.772	1.710	-0.212
H5	0.619	0.606	1.506

	C1	Br2	Cl3	F4	H5
C1		1.9854	1.9018	1.3676	1.0839
Br2	1.9854		3.1985	2.7846	2.5457
Cl3	1.9018	3.1985		2.6739	2.4226
F4	1.3676	2.7846	2.6739		2.0474
H5	1.0839	2.5457	2.4226	2.0474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	110.722	Br2	C1	F4	110.955
Br2	C1	H5	108.476	Cl3	C1	F4	108.643
Cl3	C1	H5	105.149	F4	C1	H5	112.758

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3LYPultrafine/3-21G

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	-0.238
2	Br	0.151
3	Cl	0.012
4	F	-0.225
5	H	0.300

	x	y	z	Total
	-0.825	0.440	1.577	1.834
CHELPG
AIM
ESP

	x	y	z
x	7.424	-0.331	0.108
y	-0.331	3.839	0.428
z	0.108	0.428	2.489

<r²>	192.372
(<r²>)^1/2	13.870