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	hartrees
Energy at 0K	-1194.511142
Energy at 298.15K	-1194.511739
HF Energy	-1193.561573
Nuclear repulsion energy	350.213788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1811	1811	15.61
2	A₁	1212	1212	307.82
3	A₁	575	575	0.19
4	A₁	333	333	2.64
5	A₁	171	171	1.36
6	A₂	558	558	0.00
7	A₂	150	150	0.00
8	B₁	358	358	1.04
9	B₂	1261	1261	25.96
10	B₂	978	978	177.40
11	B₂	436	436	0.22
12	B₂	421	421	0.76

Atom	y (Å)	z (Å)
C1	0.671	0.420
C2	-0.671	0.420
F3	1.340	1.574
F4	-1.340	1.574
Cl5	1.662	-0.981
Cl6	-1.662	-0.981

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3423	1.3336	2.3188	1.7163	2.7215
C2	1.3423		2.3188	1.3336	2.7215	1.7163
F3	1.3336	2.3188		2.6805	2.5754	3.9422
F4	2.3188	1.3336	2.6805		3.9422	2.5754
Cl5	1.7163	2.7215	2.5754	3.9422		3.3235
Cl6	2.7215	1.7163	3.9422	2.5754	3.3235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.113	C1	C2	Cl6	125.252
C2	C1	F3	120.113	C2	C1	Cl5	125.252
F3	C1	Cl5	114.635	F4	C2	Cl6	114.635

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

using model chemistry: CCSD=FULL/cc-pVDZ

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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