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	hartrees
Energy at 0K	-1196.404119
Energy at 298.15K	-1196.404718
HF Energy	-1196.404119
Nuclear repulsion energy	353.340988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1797	1719	18.50
2	A₁	1195	1144	374.67
3	A₁	577	553	1.25
4	A₁	333	319	2.70
5	A₁	167	160	1.39
6	A₂	576	551	0.00
7	A₂	149	143	0.00
8	B₁	350	335	0.21
9	B₂	1238	1184	38.16
10	B₂	980	938	184.02
11	B₂	437	419	0.06
12	B₂	423	405	0.31

Atom	y (Å)	z (Å)
C1	0.663	0.418
C2	-0.663	0.418
F3	1.326	1.562
F4	-1.326	1.562
Cl5	1.645	-0.975
Cl6	-1.645	-0.975

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3256	1.3217	2.2937	1.7045	2.6958
C2	1.3256		2.2937	1.3217	2.6958	1.7045
F3	1.3217	2.2937		2.6512	2.5564	3.9063
F4	2.2937	1.3217	2.6512		3.9063	2.5564
Cl5	1.7045	2.6958	2.5564	3.9063		3.2907
Cl6	2.6958	1.7045	3.9063	2.5564	3.2907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.098	C1	C2	Cl6	125.201
C2	C1	F3	120.098	C2	C1	Cl5	125.201
F3	C1	Cl5	114.701	F4	C2	Cl6	114.701

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

using model chemistry: B1B95/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	-0.130
4	F	-0.130
5	Cl	-0.002
6	Cl	-0.002

	x	y	z	Total
	0.000	0.000	-1.023	1.023
CHELPG
AIM
ESP

<r²>	235.830
(<r²>)^1/2	15.357