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	hartrees
Energy at 0K	-1196.336774
Energy at 298.15K	-1196.337390
HF Energy	-1196.336774
Nuclear repulsion energy	352.629698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1788	1706	17.92
2	A₁	1191	1137	370.44
3	A₁	577	550	1.23
4	A₁	340	325	2.71
5	A₁	172	164	1.23
6	A₂	575	549	0.00
7	A₂	149	142	0.00
8	B₁	351	335	0.15
9	B₂	1234	1178	37.20
10	B₂	979	934	184.72
11	B₂	438	418	0.04
12	B₂	426	406	0.29

Atom	y (Å)	z (Å)
C1	0.664	0.418
C2	-0.664	0.418
F3	1.327	1.563
F4	-1.327	1.563
Cl5	1.653	-0.975
Cl6	-1.653	-0.975

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3281	1.3230	2.2966	1.7081	2.7035
C2	1.3281		2.2966	1.3230	2.7035	1.7081
F3	1.3230	2.2966		2.6537	2.5584	3.9140
F4	2.2966	1.3230	2.6537		3.9140	2.5584
Cl5	1.7081	2.7035	2.5584	3.9140		3.3064
Cl6	2.7035	1.7081	3.9140	2.5584	3.3064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.065	C1	C2	Cl6	125.389
C2	C1	F3	120.065	C2	C1	Cl5	125.389
F3	C1	Cl5	114.546	F4	C2	Cl6	114.546

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

using model chemistry: mPW1PW91/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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Number	Element	Mulliken
1	C	0.132
2	C	0.132
3	F	-0.124
4	F	-0.124
5	Cl	-0.008
6	Cl	-0.008

	x	y	z	Total
	0.000	0.000	-0.981	0.981
CHELPG
AIM
ESP

<r²>	236.883
(<r²>)^1/2	15.391