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	hartrees
Energy at 0K	-1395.987975
Energy at 298.15K	-1395.989872
HF Energy	-1395.987975
Nuclear repulsion energy	604.376567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1193	1176	0.00
2	A_g	971	957	0.00
3	A_g	677	668	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	1132	1116	425.08
8	A_u	364	359	0.30
9	A_u	224	221	1.68
10	A_u	64	63	0.14
11	B_g	1123	1107	0.00
12	B_g	522	515	0.00
13	B_g	313	308	0.00
14	B_u	1082	1067	373.84
15	B_u	780	769	440.85
16	B_u	592	583	9.59
17	B_u	412	406	1.50
18	B_u	163	161	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	0.752	0.000
C2	0.238	-0.752	0.000
Cl3	-2.036	0.835	0.000
Cl4	2.036	-0.835	0.000
F5	0.238	1.373	1.094
F6	0.238	1.373	-1.094
F7	-0.238	-1.373	1.094
F8	-0.238	-1.373	-1.094

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5773	1.7996	2.7726	1.3453	1.3453	2.3899	2.3899
C2	1.5773		2.7726	1.7996	2.3899	2.3899	1.3453	1.3453
Cl3	1.7996	2.7726		4.4004	2.5799	2.5799	3.0501	3.0501
Cl4	2.7726	1.7996	4.4004		3.0501	3.0501	2.5799	2.5799
F5	1.3453	2.3899	2.5799	3.0501		2.1889	2.7864	3.5434
F6	1.3453	2.3899	2.5799	3.0501	2.1889		3.5434	2.7864
F7	2.3899	1.3453	3.0501	2.5799	2.7864	3.5434		2.1889
F8	2.3899	1.3453	3.0501	2.5799	3.5434	2.7864	2.1889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.210	C1	C2	F7	109.466
C1	C2	F8	109.466	C2	C1	Cl3	110.210
C2	C1	F5	109.466	C2	C1	F6	109.466
Cl3	C1	F5	109.395	Cl3	C1	F6	109.395
Cl4	C2	F7	109.395	Cl4	C2	F8	109.395
F5	C1	F6	108.887	F7	C2	F8	108.887

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

using model chemistry: B97D3/TZVP

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	0.218
2	C	0.218
3	Cl	-0.026
4	Cl	-0.026
5	F	-0.096
6	F	-0.096
7	F	-0.096
8	F	-0.096

	x	y	z
x	10.166	-0.742	0.000
y	-0.742	6.115	0.000
z	0.000	0.000	5.854

<r²>	320.208
(<r²>)^1/2	17.894

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

using model chemistry: B97D3/TZVP

States and conformations

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