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	hartrees
Energy at 0K	-1395.078441
Energy at 298.15K	-1395.080324
HF Energy	-1395.078441
Nuclear repulsion energy	600.301261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1288	1232	0.00
2	A_g	1033	988	0.00
3	A_g	670	641	0.00
4	A_g	417	399	0.00
5	A_g	347	332	0.00
6	A_g	247	237	0.00
7	A_u	1218	1165	316.17
8	A_u	354	338	2.12
9	A_u	214	205	3.52
10	A_u	62	60	0.24
11	B_g	1199	1147	0.00
12	B_g	530	507	0.00
13	B_g	306	293	0.00
14	B_u	1132	1083	311.07
15	B_u	810	775	375.47
16	B_u	562	537	20.56
17	B_u	411	393	2.31
18	B_u	162	155	2.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.241	0.727	0.000
C2	0.241	-0.727	0.000
Cl3	-2.057	0.816	0.000
Cl4	2.057	-0.816	0.000
F5	0.241	1.363	1.118
F6	0.241	1.363	-1.118
F7	-0.241	-1.363	1.118
F8	-0.241	-1.363	-1.118

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5311	1.8185	2.7683	1.3738	1.3738	2.3698	2.3698
C2	1.5311		2.7683	1.8185	2.3698	2.3698	1.3738	1.3738
Cl3	1.8185	2.7683		4.4268	2.6137	2.6137	3.0493	3.0493
Cl4	2.7683	1.8185	4.4268		3.0493	3.0493	2.6137	2.6137
F5	1.3738	2.3698	2.6137	3.0493		2.2362	2.7680	3.5584
F6	1.3738	2.3698	2.6137	3.0493	2.2362		3.5584	2.7680
F7	2.3698	1.3738	3.0493	2.6137	2.7680	3.5584		2.2362
F8	2.3698	1.3738	3.0493	2.6137	3.5584	2.7680	2.2362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.180	C1	C2	F7	109.213
C1	C2	F8	109.213	C2	C1	Cl3	111.180
C2	C1	F5	109.213	C2	C1	F6	109.213
Cl3	C1	F5	109.124	Cl3	C1	F6	109.124
Cl4	C2	F7	109.124	Cl4	C2	F8	109.124
F5	C1	F6	108.953	F7	C2	F8	108.953

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

using model chemistry: HSEh1PBE/6-31G

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	0.303
2	C	0.303
3	Cl	0.180
4	Cl	0.180
5	F	-0.242
6	F	-0.242
7	F	-0.242
8	F	-0.242

	x	y	z
x	9.232	-0.666	0.000
y	-0.666	4.200	0.000
z	0.000	0.000	4.357

<r²>	323.319
(<r²>)^1/2	17.981

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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