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	hartrees
Energy at 0K	-1194.932818
Energy at 298.15K	-1194.933424
HF Energy	-1193.693732
Nuclear repulsion energy	352.670075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1801	1733	18.96
2	A₁	1208	1162	297.06
3	A₁	577	555	0.15
4	A₁	334	322	2.47
5	A₁	169	163	1.01
6	A₂	568	546	0.00
7	A₂	151	145	0.00
8	B₁	348	335	0.63
9	B₂	1244	1198	27.20
10	B₂	985	948	153.36
11	B₂	439	422	0.42
12	B₂	421	406	0.71

Atom	y (Å)	z (Å)
C1	0.665	0.415
C2	-0.665	0.415
F3	1.329	1.564
F4	-1.329	1.564
Cl5	1.651	-0.974
Cl6	-1.651	-0.974

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3299	1.3271	2.3013	1.7034	2.7007
C2	1.3299		2.3013	1.3271	2.7007	1.7034
F3	1.3271	2.3013		2.6582	2.5581	3.9144
F4	2.3013	1.3271	2.6582		3.9144	2.5581
Cl5	1.7034	2.7007	2.5581	3.9144		3.3026
Cl6	2.7007	1.7034	3.9144	2.5581	3.3026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.030	C1	C2	Cl6	125.386
C2	C1	F3	120.030	C2	C1	Cl5	125.386
F3	C1	Cl5	114.585	F4	C2	Cl6	114.585

All results from a given calculation for CFClCFCl (cis-1,2-dichloro-1,2-difluoroethylene)

using model chemistry: QCISD/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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