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	hartrees
Energy at 0K	-1196.117625
Energy at 298.15K	-1196.117966
HF Energy	-1196.117625
Nuclear repulsion energy	342.120965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1768	1701	5.87
2	A₁	1120	1078	276.62
3	A₁	520	501	2.89
4	A₁	304	293	2.61
5	A₁	158	152	1.96
6	A₂	535	515	0.00
7	A₂	142	137	0.00
8	B₁	335	322	1.26
9	B₂	1167	1123	8.94
10	B₂	894	860	162.24
11	B₂	413	398	0.00
12	B₂	382	368	0.69

Atom	y (Å)	z (Å)
C1	0.667	0.431
C2	-0.667	0.431
F3	1.360	1.617
F4	-1.360	1.617
Cl5	1.700	-1.008
Cl6	-1.700	-1.008

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3343	1.3739	2.3490	1.7720	2.7709
C2	1.3343		2.3490	1.3739	2.7709	1.7720
F3	1.3739	2.3490		2.7206	2.6477	4.0327
F4	2.3490	1.3739	2.7206		4.0327	2.6477
Cl5	1.7720	2.7709	2.6477	4.0327		3.4009
Cl6	2.7709	1.7720	4.0327	2.6477	3.4009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.299	C1	C2	Cl6	125.671
C2	C1	F3	120.299	C2	C1	Cl5	125.671
F3	C1	Cl5	114.030	F4	C2	Cl6	114.030

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

using model chemistry: TPSSh/6-31G

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	0.056
2	C	0.056
3	F	-0.252
4	F	-0.252
5	Cl	0.197
6	Cl	0.197

	x	y	z	Total
	0.000	0.000	-0.902	0.902
CHELPG
AIM
ESP

<r²>	249.943
(<r²>)^1/2	15.810