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	hartrees
Energy at 0K	-1396.064112
Energy at 298.15K	-1396.066253
HF Energy	-1396.064112
Nuclear repulsion energy	612.476035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1289	1233	0.00
2	A_g	1059	1013	0.00
3	A_g	714	683	0.00
4	A_g	442	423	0.00
5	A_g	362	346	0.00
6	A_g	250	239	0.00
7	A_u	1222	1169	360.96
8	A_u	377	360	0.31
9	A_u	225	216	1.01
10	A_u	64	61	0.13
11	B_g	1213	1160	0.00
12	B_g	547	524	0.00
13	B_g	323	309	0.00
14	B_u	1161	1111	353.38
15	B_u	843	807	387.78
16	B_u	617	590	10.54
17	B_u	438	419	0.33
18	B_u	165	158	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	0.746	0.000
C2	0.235	-0.746	0.000
Cl3	-2.002	0.832	0.000
Cl4	2.002	-0.832	0.000
F5	0.235	1.360	1.082
F6	0.235	1.360	-1.082
F7	-0.235	-1.360	1.082
F8	-0.235	-1.360	-1.082

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5650	1.7690	2.7375	1.3290	1.3290	2.3677	2.3677
C2	1.5650		2.7375	1.7690	2.3677	2.3677	1.3290	1.3290
Cl3	1.7690	2.7375		4.3355	2.5395	2.5395	3.0161	3.0161
Cl4	2.7375	1.7690	4.3355		3.0161	3.0161	2.5395	2.5395
F5	1.3290	2.3677	2.5395	3.0161		2.1630	2.7598	3.5064
F6	1.3290	2.3677	2.5395	3.0161	2.1630		3.5064	2.7598
F7	2.3677	1.3290	3.0161	2.5395	2.7598	3.5064		2.1630
F8	2.3677	1.3290	3.0161	2.5395	3.5064	2.7598	2.1630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.235	C1	C2	F7	109.530
C1	C2	F8	109.530	C2	C1	Cl3	110.235
C2	C1	F5	109.530	C2	C1	F6	109.530
Cl3	C1	F5	109.293	Cl3	C1	F6	109.293
Cl4	C2	F7	109.293	Cl4	C2	F8	109.293
F5	C1	F6	108.939	F7	C2	F8	108.939

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

using model chemistry: wB97X-D/aug-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	0.909
2	C	0.909
3	Cl	-0.197
4	Cl	-0.197
5	F	-0.356
6	F	-0.356
7	F	-0.356
8	F	-0.356

	x	y	z
x	10.672	-0.790	0.000
y	-0.790	7.708	0.000
z	0.000	0.000	7.347

<r²>	312.441
(<r²>)^1/2	17.676

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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