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	hartrees
Energy at 0K	-598.681275
Energy at 298.15K
HF Energy	-598.681275
Nuclear repulsion energy	93.681762

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	3217	3077	7.25	96.51	0.27	0.43
2	A	1312	1255	64.21	3.53	0.74	0.85
3	A	1193	1141	217.62	3.29	0.51	0.68
4	A	870	833	74.08	5.41	0.28	0.44
5	A	741	709	28.06	8.23	0.16	0.28
6	A	409	391	1.63	2.61	0.69	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.537	0.549	-0.132
H2	0.724	1.499	0.357
F3	1.516	-0.340	0.027
Cl4	-1.035	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0847	1.3327	1.7067
H2	1.0847		2.0299	2.4033
F3	1.3327	2.0299		2.5623
Cl4	1.7067	2.4033	2.5623

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.826		H2	C1	Cl4	117.096
F3	C1	Cl4	114.363

All results from a given calculation for CHFCl (Chlorofluoromethyl radical)

using model chemistry: B1B95/6-31+G**

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	-0.046
2	H	0.187
3	F	-0.205
4	Cl	0.064

	x	y	z	Total
	-0.110	1.216	0.475	1.310
CHELPG
AIM
ESP

	x	y	z
x	4.716	0.494	-0.139
y	0.494	3.212	-0.010
z	-0.139	-0.010	2.560

<r²>	61.332
(<r²>)^1/2	7.832