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	hartrees
Energy at 0K	-1194.638320
Energy at 298.15K	-1194.638896
HF Energy	-1193.657245
Nuclear repulsion energy	351.009672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1801	1719	16.77
2	A₁	1203	1148	316.60
3	A₁	571	545	0.31
4	A₁	342	326	3.02
5	A₁	174	166	1.23
6	A₂	536	512	0.00
7	A₂	147	140	0.00
8	B₁	338	323	0.70
9	B₂	1250	1193	27.73
10	B₂	985	940	167.51
11	B₂	439	419	0.11
12	B₂	424	404	0.91

Atom	y (Å)	z (Å)
C1	0.665	0.416
C2	-0.665	0.416
F3	1.327	1.569
F4	-1.327	1.569
Cl5	1.667	-0.978
Cl6	-1.667	-0.978

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3295	1.3298	2.3014	1.7166	2.7164
C2	1.3295		2.3014	1.3298	2.7164	1.7166
F3	1.3298	2.3014		2.6537	2.5696	3.9306
F4	2.3014	1.3298	2.6537		3.9306	2.5696
Cl5	1.7166	2.7164	2.5696	3.9306		3.3336
Cl6	2.7164	1.7166	3.9306	2.5696	3.3336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.860	C1	C2	Cl6	125.713
C2	C1	F3	119.860	C2	C1	Cl5	125.713
F3	C1	Cl5	114.428	F4	C2	Cl6	114.428

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

using model chemistry: CCSD/TZVP

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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