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	hartrees
Energy at 0K	-1395.858047
Energy at 298.15K	-1395.860145
HF Energy	-1395.858047
Nuclear repulsion energy	611.547515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1279	1231	0.00
2	A_g	1047	1009	0.00
3	A_g	708	682	0.00
4	A_g	438	422	0.00
5	A_g	357	344	0.00
6	A_g	251	242	0.00
7	A_u	1216	1171	432.69
8	A_u	378	364	0.56
9	A_u	220	212	2.03
10	A_u	61	59	0.16
11	B_g	1203	1159	0.00
12	B_g	542	522	0.00
13	B_g	325	313	0.00
14	B_u	1150	1108	406.37
15	B_u	834	803	442.05
16	B_u	611	588	13.25
17	B_u	435	419	0.09
18	B_u	166	160	1.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.742	0.000
C2	0.237	-0.742	0.000
Cl3	-2.007	0.831	0.000
Cl4	2.007	-0.831	0.000
F5	0.237	1.355	1.085
F6	0.237	1.355	-1.085
F7	-0.237	-1.355	1.085
F8	-0.237	-1.355	-1.085

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5574	1.7721	2.7408	1.3336	1.3336	2.3609	2.3609
C2	1.5574		2.7408	1.7721	2.3609	2.3609	1.3336	1.3336
Cl3	1.7721	2.7408		4.3449	2.5473	2.5473	3.0150	3.0150
Cl4	2.7408	1.7721	4.3449		3.0150	3.0150	2.5473	2.5473
F5	1.3336	2.3609	2.5473	3.0150		2.1693	2.7520	3.5042
F6	1.3336	2.3609	2.5473	3.0150	2.1693		3.5042	2.7520
F7	2.3609	1.3336	3.0150	2.5473	2.7520	3.5042		2.1693
F8	2.3609	1.3336	3.0150	2.5473	3.5042	2.7520	2.1693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.646	C1	C2	F7	109.258
C1	C2	F8	109.258	C2	C1	Cl3	110.646
C2	C1	F5	109.258	C2	C1	F6	109.258
Cl3	C1	F5	109.403	Cl3	C1	F6	109.403
Cl4	C2	F7	109.403	Cl4	C2	F8	109.403
F5	C1	F6	108.846	F7	C2	F8	108.846

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

using model chemistry: B3PW91/6-311G**

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	0.320
2	C	0.320
3	Cl	0.006
4	Cl	0.006
5	F	-0.163
6	F	-0.163
7	F	-0.163
8	F	-0.163

	x	y	z
x	9.472	-0.800	0.000
y	-0.800	5.026	0.000
z	0.000	0.000	4.637

<r²>	313.452
(<r²>)^1/2	17.705

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

using model chemistry: B3PW91/6-311G**

States and conformations

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