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	hartrees
Energy at 0K	-1389.039514
Energy at 298.15K	-1389.041431
HF Energy	-1389.039514
Nuclear repulsion energy	607.819658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1255	1190	0.00
2	A_g	1046	991	0.00
3	A_g	680	645	0.00
4	A_g	425	403	0.00
5	A_g	348	330	0.00
6	A_g	260	247	0.00
7	A_u	1269	1203	261.03
8	A_u	358	339	2.37
9	A_u	207	196	3.14
10	A_u	52	49	0.15
11	B_g	1227	1163	0.00
12	B_g	521	493	0.00
13	B_g	307	291	0.00
14	B_u	1163	1102	294.90
15	B_u	828	785	390.41
16	B_u	578	548	17.92
17	B_u	415	393	1.48
18	B_u	167	159	3.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.740	0.000
C2	0.236	-0.740	0.000
Cl3	-2.012	0.774	0.000
Cl4	2.012	-0.774	0.000
F5	0.236	1.352	1.117
F6	0.236	1.352	-1.117
F7	-0.236	-1.352	1.117
F8	-0.236	-1.352	-1.117

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5534	1.7769	2.7108	1.3583	1.3583	2.3720	2.3720
C2	1.5534		2.7108	1.7769	2.3720	2.3720	1.3583	1.3583
Cl3	1.7769	2.7108		4.3126	2.5761	2.5761	2.9879	2.9879
Cl4	2.7108	1.7769	4.3126		2.9879	2.9879	2.5761	2.5761
F5	1.3583	2.3720	2.5761	2.9879		2.2339	2.7457	3.5397
F6	1.3583	2.3720	2.5761	2.9879	2.2339		3.5397	2.7457
F7	2.3720	1.3583	2.9879	2.5761	2.7457	3.5397		2.2339
F8	2.3720	1.3583	2.9879	2.5761	3.5397	2.7457	2.2339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	108.784	C1	C2	F7	108.915
C1	C2	F8	108.915	C2	C1	Cl3	108.784
C2	C1	F5	108.915	C2	C1	F6	108.915
Cl3	C1	F5	109.780	Cl3	C1	F6	109.780
Cl4	C2	F7	109.780	Cl4	C2	F8	109.780
F5	C1	F6	110.632	F7	C2	F8	110.632

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

using model chemistry: wB97X-D/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	0.433
2	C	0.433
3	Cl	0.078
4	Cl	0.078
5	F	-0.256
6	F	-0.256
7	F	-0.256
8	F	-0.256

	x	y	z
x	8.353	-0.597	0.000
y	-0.597	4.185	0.000
z	0.000	0.000	4.299

<r²>	314.368
(<r²>)^1/2	17.730

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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