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	hartrees
Energy at 0K	-1396.007055
Energy at 298.15K	-1396.008956
HF Energy	-1396.007055
Nuclear repulsion energy	606.369866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1207	1190	0.00
2	A_g	970	956	0.00
3	A_g	678	669	0.00
4	A_g	408	402	0.00
5	A_g	346	341	0.00
6	A_g	241	237	0.00
7	A_u	1144	1128	386.17
8	A_u	362	357	0.31
9	A_u	220	217	1.26
10	A_u	65	64	0.07
11	B_g	1130	1114	0.00
12	B_g	522	515	0.00
13	B_g	312	307	0.00
14	B_u	1090	1075	344.16
15	B_u	781	770	428.75
16	B_u	590	582	8.74
17	B_u	411	406	1.40
18	B_u	162	160	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.749	0.000
C2	0.237	-0.749	0.000
Cl3	-2.026	0.829	0.000
Cl4	2.026	-0.829	0.000
F5	0.237	1.370	1.093
F6	0.237	1.370	-1.093
F7	-0.237	-1.370	1.093
F8	-0.237	-1.370	-1.093

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5710	1.7909	2.7589	1.3434	1.3434	2.3839	2.3839
C2	1.5710		2.7589	1.7909	2.3839	2.3839	1.3434	1.3434
Cl3	1.7909	2.7589		4.3784	2.5707	2.5707	3.0380	3.0380
Cl4	2.7589	1.7909	4.3784		3.0380	3.0380	2.5707	2.5707
F5	1.3434	2.3839	2.5707	3.0380		2.1859	2.7801	3.5365
F6	1.3434	2.3839	2.5707	3.0380	2.1859		3.5365	2.7801
F7	2.3839	1.3434	3.0380	2.5707	2.7801	3.5365		2.1859
F8	2.3839	1.3434	3.0380	2.5707	3.5365	2.7801	2.1859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.052	C1	C2	F7	109.566
C1	C2	F8	109.566	C2	C1	Cl3	110.052
C2	C1	F5	109.566	C2	C1	F6	109.566
Cl3	C1	F5	109.251	Cl3	C1	F6	109.251
Cl4	C2	F7	109.251	Cl4	C2	F8	109.251
F5	C1	F6	109.137	F7	C2	F8	109.137

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

using model chemistry: B97D3/cc-pVTZ

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	0.344
2	C	0.344
3	Cl	-0.097
4	Cl	-0.097
5	F	-0.123
6	F	-0.123
7	F	-0.123
8	F	-0.123

	x	y	z
x	10.383	-0.855	0.000
y	-0.855	6.468	0.000
z	0.000	0.000	6.004

<r²>	317.621
(<r²>)^1/2	17.822

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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