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	hartrees
Energy at 0K	-1395.906037
Energy at 298.15K	-1395.907649
HF Energy	-1395.906037
Nuclear repulsion energy	591.366919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1200	1154	0.00
2	A_g	976	939	0.00
3	A_g	639	615	0.00
4	A_g	397	382	0.00
5	A_g	331	318	0.00
6	A_g	236	227	0.00
7	A_u	1096	1053	365.58
8	A_u	341	328	1.82
9	A_u	207	199	3.78
10	A_u	55	53	0.52
11	B_g	1074	1033	0.00
12	B_g	505	485	0.00
13	B_g	291	279	0.00
14	B_u	1047	1007	299.59
15	B_u	781	751	313.84
16	B_u	540	519	16.23
17	B_u	393	378	2.49
18	B_u	153	147	1.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	0.739	0.000
C2	0.249	-0.739	0.000
Cl3	-2.083	0.848	0.000
Cl4	2.083	-0.848	0.000
F5	0.249	1.392	1.127
F6	0.249	1.392	-1.127
F7	-0.249	-1.392	1.127
F8	-0.249	-1.392	-1.127

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5607	1.8364	2.8211	1.3943	1.3943	2.4106	2.4106
C2	1.5607		2.8211	1.8364	2.4106	2.4106	1.3943	1.3943
Cl3	1.8364	2.8211		4.4974	2.6463	2.6463	3.1061	3.1061
Cl4	2.8211	1.8364	4.4974		3.1061	3.1061	2.6463	2.6463
F5	1.3943	2.4106	2.6463	3.1061		2.2538	2.8275	3.6159
F6	1.3943	2.4106	2.6463	3.1061	2.2538		3.6159	2.8275
F7	2.4106	1.3943	3.1061	2.6463	2.8275	3.6159		2.2538
F8	2.4106	1.3943	3.1061	2.6463	3.6159	2.8275	2.2538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.035	C1	C2	F7	109.204
C1	C2	F8	109.204	C2	C1	Cl3	112.035
C2	C1	F5	109.204	C2	C1	F6	109.204
Cl3	C1	F5	109.227	Cl3	C1	F6	109.227
Cl4	C2	F7	109.227	Cl4	C2	F8	109.227
F5	C1	F6	107.851	F7	C2	F8	107.851

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

using model chemistry: B3LYP/SDD

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	0.173
2	C	0.173
3	Cl	0.112
4	Cl	0.112
5	F	-0.143
6	F	-0.143
7	F	-0.143
8	F	-0.143

	x	y	z
x	9.154	-0.546	0.000
y	-0.546	4.370	0.000
z	0.000	0.000	4.334

<r²>	333.174
(<r²>)^1/2	18.253

All results from a given calculation for CF2ClCF2Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)