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	hartrees
Energy at 0K	-3170.117182
Energy at 298.15K	-3170.121669
HF Energy	-3170.117182
Nuclear repulsion energy	312.371183

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	3224	3102	2.56	95.96	0.25	0.40
2	A	1301	1251	14.98	8.79	0.75	0.86
3	A	1214	1168	71.21	7.67	0.74	0.85
4	A	1048	1008	173.59	1.76	0.44	0.61
5	A	685	659	234.54	7.72	0.40	0.57
6	A	613	590	70.67	11.56	0.21	0.35
7	A	379	365	2.43	7.68	0.33	0.50
8	A	287	276	0.36	4.87	0.65	0.79
9	A	209	201	0.26	8.83	0.58	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.567	0.487	0.436
Br2	-1.232	-0.198	-0.030
Cl3	1.888	-0.702	-0.069
F4	0.780	1.703	-0.211
H5	0.618	0.615	1.510

	C1	Br2	Cl3	F4	H5
C1		1.9802	1.8473	1.3938	1.0838
Br2	1.9802		3.1604	2.7738	2.5411
Cl3	1.8473	3.1604		2.6514	2.4172
F4	1.3938	2.7738	2.6514		2.0427
H5	1.0838	2.5411	2.4172	2.0427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.271	Br2	C1	F4	109.363
Br2	C1	H5	108.490	Cl3	C1	F4	108.981
Cl3	C1	H5	108.280	F4	C1	H5	110.451

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: TPSSh/6-31G

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	0.126
3	Cl	0.081
4	F	-0.248
5	H	0.279

	x	y	z	Total
	-0.337	0.003	1.698	1.731
CHELPG
AIM
ESP

	x	y	z
x	7.562	-0.229	0.131
y	-0.229	4.097	0.392
z	0.131	0.392	2.730

<r²>	189.391
(<r²>)^1/2	13.762