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	hartrees
Energy at 0K	-1388.945924
Energy at 298.15K	-1388.947572
HF Energy	-1388.945924
Nuclear repulsion energy	596.947031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1268	1224	0.00
2	A_g	967	933	0.00
3	A_g	667	643	0.00
4	A_g	370	357	0.00
5	A_g	345	333	0.00
6	A_g	242	233	0.00
7	A_u	1290	1245	290.37
8	A_u	321	309	4.01
9	A_u	202	195	4.35
10	A_u	52	50	0.05
11	B_g	1247	1203	0.00
12	B_g	502	484	0.00
13	B_g	282	272	0.00
14	B_u	1162	1121	295.60
15	B_u	748	722	409.33
16	B_u	565	545	20.25
17	B_u	376	363	0.99
18	B_u	156	151	3.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.222	0.731	0.000
C2	0.222	-0.731	0.000
Cl3	-2.110	0.754	0.000
Cl4	2.110	-0.754	0.000
F5	0.222	1.362	1.117
F6	0.222	1.362	-1.117
F7	-0.222	-1.362	1.117
F8	-0.222	-1.362	-1.117

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5283	1.8886	2.7644	1.3573	1.3573	2.3727	2.3727
C2	1.5283		2.7644	1.8886	2.3727	2.3727	1.3573	1.3573
Cl3	1.8886	2.7644		4.4813	2.6560	2.6560	3.0480	3.0480
Cl4	2.7644	1.8886	4.4813		3.0480	3.0480	2.6560	2.6560
F5	1.3573	2.3727	2.6560	3.0480		2.2345	2.7595	3.5508
F6	1.3573	2.3727	2.6560	3.0480	2.2345		3.5508	2.7595
F7	2.3727	1.3573	3.0480	2.6560	2.7595	3.5508		2.2345
F8	2.3727	1.3573	3.0480	2.6560	3.5508	2.7595	2.2345

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	107.539	C1	C2	F7	110.481
C1	C2	F8	110.481	C2	C1	Cl3	107.539
C2	C1	F5	110.481	C2	C1	F6	110.481
Cl3	C1	F5	108.721	Cl3	C1	F6	108.721
Cl4	C2	F7	108.721	Cl4	C2	F8	108.721
F5	C1	F6	110.804	F7	C2	F8	110.804

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

using model chemistry: B3LYP/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	0.386
2	C	0.386
3	Cl	0.065
4	Cl	0.065
5	F	-0.226
6	F	-0.226
7	F	-0.226
8	F	-0.226

	x	y	z
x	9.711	-0.670	0.000
y	-0.670	3.746	0.000
z	0.000	0.000	3.840

<r²>	327.094
(<r²>)^1/2	18.086

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

using model chemistry: B3LYP/3-21G

States and conformations

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