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	hartrees
Energy at 0K	-795.254960
Energy at 298.15K
HF Energy	-795.254960
Nuclear repulsion energy	251.157166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1082	1070	522.40	1.28	0.53	0.69
2	A₁	780	772	57.88	4.45	0.00	0.01
3	A₁	464	459	1.39	5.71	0.38	0.55
4	E	1231	1218	336.63	0.28	0.75	0.86
4	E	1231	1218	336.62	0.28	0.75	0.86
5	E	555	549	2.13	1.65	0.75	0.86
5	E	555	549	2.13	1.65	0.75	0.86
6	E	342	338	0.05	1.94	0.75	0.86
6	E	342	338	0.05	1.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.355
Cl2	0.000	0.000	1.407
F3	0.000	1.240	-0.807
F4	1.074	-0.620	-0.807
F5	-1.074	-0.620	-0.807

	C1	Cl2	F3	F4	F5
C1		1.7614	1.3202	1.3202	1.3202
Cl2	1.7614		2.5376	2.5376	2.5376
F3	1.3202	2.5376		2.1481	2.1481
F4	1.3202	2.5376	2.1481		2.1481
F5	1.3202	2.5376	2.1481	2.1481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.042	Cl2	C1	F4	110.042
Cl2	C1	F5	110.042	F3	C1	F4	108.895
F3	C1	F5	108.895	F4	C1	F5	108.895

All results from a given calculation for CF₃Cl (Methane, chlorotrifluoro-)

using model chemistry: SVWN/6-311G**

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	0.375
2	Cl	-0.023
3	F	-0.117
4	F	-0.117
5	F	-0.117

	x	y	z	Total
	0.000	0.000	0.067	0.067
CHELPG
AIM
ESP

<r²>	114.135
(<r²>)^1/2	10.683

All results from a given calculation for CF3Cl (Methane, chlorotrifluoro-)

using model chemistry: SVWN/6-311G**

States and conformations

All results from a given calculation for CF₃Cl (Methane, chlorotrifluoro-)