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	hartrees
Energy at 0K	-1395.980594
Energy at 298.15K	-1395.982605
HF Energy	-1395.980594
Nuclear repulsion energy	610.858901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1289	1244	0.00
2	A_g	1030	994	0.00
3	A_g	707	683	0.00
4	A_g	427	412	0.00
5	A_g	358	346	0.00
6	A_g	247	238	0.00
7	A_u	1238	1195	329.74
8	A_u	367	354	0.78
9	A_u	214	207	1.49
10	A_u	59	57	0.02
11	B_g	1221	1178	0.00
12	B_g	540	521	0.00
13	B_g	316	305	0.00
14	B_u	1164	1123	315.68
15	B_u	813	784	408.79
16	B_u	610	589	11.43
17	B_u	426	411	0.20
18	B_u	162	156	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.743	0.000
C2	0.233	-0.743	0.000
Cl3	-2.021	0.818	0.000
Cl4	2.021	-0.818	0.000
F5	0.233	1.353	1.084
F6	0.233	1.353	-1.084
F7	-0.233	-1.353	1.084
F8	-0.233	-1.353	-1.084

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5572	1.7896	2.7416	1.3281	1.3281	2.3596	2.3596
C2	1.5572		2.7416	1.7896	2.3596	2.3596	1.3281	1.3281
Cl3	1.7896	2.7416		4.3604	2.5576	2.5576	3.0140	3.0140
Cl4	2.7416	1.7896	4.3604		3.0140	3.0140	2.5576	2.5576
F5	1.3281	2.3596	2.5576	3.0140		2.1677	2.7458	3.4983
F6	1.3281	2.3596	2.5576	3.0140	2.1677		3.4983	2.7458
F7	2.3596	1.3281	3.0140	2.5576	2.7458	3.4983		2.1677
F8	2.3596	1.3281	3.0140	2.5576	3.4983	2.7458	2.1677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	109.809	C1	C2	F7	109.470
C1	C2	F8	109.470	C2	C1	Cl3	109.809
C2	C1	F5	109.470	C2	C1	F6	109.470
Cl3	C1	F5	109.346	Cl3	C1	F6	109.346
Cl4	C2	F7	109.346	Cl4	C2	F8	109.346
F5	C1	F6	109.386	F7	C2	F8	109.386

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.233
2	C	0.233
3	Cl	-0.132
4	Cl	-0.132
5	F	-0.050
6	F	-0.050
7	F	-0.050
8	F	-0.050

	x	y	z
x	9.923	-0.869	0.000
y	-0.869	6.204	0.000
z	0.000	0.000	5.852

<r²>	313.531
(<r²>)^1/2	17.707

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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