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	hartrees
Energy at 0K	-502.799200
Energy at 298.15K	-502.801378
HF Energy	-502.799200
Nuclear repulsion energy	379.649129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1371	1234	0.00
2	A_g	1131	1018	0.00
3	A_g	703	632	0.00
4	A_g	445	401	0.00
5	A_g	367	331	0.00
6	A_g	264	238	0.00
7	A_u	1264	1138	416.78
8	A_u	379	341	3.63
9	A_u	231	208	5.82
10	A_u	70	63	0.58
11	B_g	1254	1128	0.00
12	B_g	562	506	0.00
13	B_g	328	295	0.00
14	B_u	1181	1063	366.11
15	B_u	880	791	312.63
16	B_u	594	534	27.16
17	B_u	438	394	11.05
18	B_u	172	155	2.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.731	0.000
C2	0.246	-0.731	0.000
Cl3	-2.043	0.849	0.000
Cl4	2.043	-0.849	0.000
F5	0.246	1.366	1.105
F6	0.246	1.366	-1.105
F7	-0.246	-1.366	1.105
F8	-0.246	-1.366	-1.105

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5431	1.8003	2.7811	1.3659	1.3659	2.3703	2.3703
C2	1.5431		2.7811	1.8003	2.3703	2.3703	1.3659	1.3659
Cl3	1.8003	2.7811		4.4239	2.5937	2.5937	3.0580	3.0580
Cl4	2.7811	1.8003	4.4239		3.0580	3.0580	2.5937	2.5937
F5	1.3659	2.3703	2.5937	3.0580		2.2097	2.7756	3.5478
F6	1.3659	2.3703	2.5937	3.0580	2.2097		3.5478	2.7756
F7	2.3703	1.3659	3.0580	2.5937	2.7756	3.5478		2.2097
F8	2.3703	1.3659	3.0580	2.5937	3.5478	2.7756	2.2097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.345	C1	C2	F7	108.982
C1	C2	F8	108.982	C2	C1	Cl3	112.345
C2	C1	F5	108.982	C2	C1	F6	108.982
Cl3	C1	F5	109.233	Cl3	C1	F6	109.233
Cl4	C2	F7	109.233	Cl4	C2	F8	109.233
F5	C1	F6	107.968	F7	C2	F8	107.968

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

using model chemistry: HF/LANL2DZ

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	0.412
2	C	0.412
3	Cl	0.089
4	Cl	0.089
5	F	-0.251
6	F	-0.251
7	F	-0.251
8	F	-0.251

	x	y	z
x	8.218	-0.494	0.000
y	-0.494	3.481	0.000
z	0.000	0.000	3.536

<r²>	225.240
(<r²>)^1/2	15.008

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

using model chemistry: HF/LANL2DZ

States and conformations

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