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	hartrees
Energy at 0K	-1395.979037
Energy at 298.15K	-1395.980951
HF Energy	-1395.979037
Nuclear repulsion energy	611.207119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1277	1232	0.00
2	A_g	1018	982	0.00
3	A_g	699	674	0.00
4	A_g	425	410	0.00
5	A_g	350	338	0.00
6	A_g	241	233	0.00
7	A_u	1224	1181	330.40
8	A_u	360	348	0.81
9	A_u	200	193	1.45
10	A_u	58	56	0.02
11	B_g	1202	1160	0.00
12	B_g	533	515	0.00
13	B_g	308	297	0.00
14	B_u	1150	1110	320.94
15	B_u	807	779	410.03
16	B_u	600	579	11.77
17	B_u	420	406	0.16
18	B_u	155	149	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.234	0.744	0.000
C2	0.234	-0.744	0.000
Cl3	-2.010	0.812	0.000
Cl4	2.010	-0.812	0.000
F5	0.234	1.353	1.089
F6	0.234	1.353	-1.089
F7	-0.234	-1.353	1.089
F8	-0.234	-1.353	-1.089

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5606	1.7765	2.7310	1.3326	1.3326	2.3634	2.3634
C2	1.5606		2.7310	1.7765	2.3634	2.3634	1.3326	1.3326
Cl3	1.7765	2.7310		4.3351	2.5520	2.5520	3.0045	3.0045
Cl4	2.7310	1.7765	4.3351		3.0045	3.0045	2.5520	2.5520
F5	1.3326	2.3634	2.5520	3.0045		2.1772	2.7472	3.5053
F6	1.3326	2.3634	2.5520	3.0045	2.1772		3.5053	2.7472
F7	2.3634	1.3326	3.0045	2.5520	2.7472	3.5053		2.1772
F8	2.3634	1.3326	3.0045	2.5520	3.5053	2.7472	2.1772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	109.675	C1	C2	F7	109.291
C1	C2	F8	109.291	C2	C1	Cl3	109.675
C2	C1	F5	109.291	C2	C1	F6	109.291
Cl3	C1	F5	109.509	Cl3	C1	F6	109.509
Cl4	C2	F7	109.509	Cl4	C2	F8	109.509
F5	C1	F6	109.553	F7	C2	F8	109.553

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

using model chemistry: TPSSh/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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All results from a given calculation for CF2ClCF2Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

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

States and conformations

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