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	hartrees
Energy at 0K	-1196.058449
Energy at 298.15K	-1196.058909
HF Energy	-1196.058449
Nuclear repulsion energy	344.417540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1816	1719	6.32
2	A₁	1158	1096	270.86
3	A₁	539	510	2.06
4	A₁	316	299	2.83
5	A₁	165	156	1.96
6	A₂	573	543	0.00
7	A₂	146	138	0.00
8	B₁	344	325	1.79
9	B₂	1207	1143	9.50
10	B₂	925	876	160.96
11	B₂	425	402	0.02
12	B₂	395	374	0.91

Atom	y (Å)	z (Å)
C1	0.664	0.427
C2	-0.664	0.427
F3	1.350	1.605
F4	-1.350	1.605
Cl5	1.691	-1.001
Cl6	-1.691	-1.001

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3280	1.3638	2.3337	1.7590	2.7544
C2	1.3280		2.3337	1.3638	2.7544	1.7590
F3	1.3638	2.3337		2.7007	2.6284	4.0056
F4	2.3337	1.3638	2.7007		4.0056	2.6284
Cl5	1.7590	2.7544	2.6284	4.0056		3.3830
Cl6	2.7544	1.7590	4.0056	2.6284	3.3830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.217	C1	C2	Cl6	125.742
C2	C1	F3	120.217	C2	C1	Cl5	125.742
F3	C1	Cl5	114.040	F4	C2	Cl6	114.040

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

using model chemistry: mPW1PW91/6-31G

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	0.051
2	C	0.051
3	F	-0.264
4	F	-0.264
5	Cl	0.214
6	Cl	0.214

	x	y	z	Total
	0.000	0.000	-1.020	1.020
CHELPG
AIM
ESP

<r²>	247.156
(<r²>)^1/2	15.721