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	hartrees
Energy at 0K	-1190.301594
Energy at 298.15K	-1190.301965
HF Energy	-1190.301594
Nuclear repulsion energy	343.150436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1789	1726	13.71
2	A₁	1142	1102	238.56
3	A₁	501	483	7.23
4	A₁	301	291	2.26
5	A₁	170	164	2.29
6	A₂	577	557	0.00
7	A₂	141	136	0.00
8	B₁	352	339	1.01
9	B₂	1223	1180	18.18
10	B₂	861	831	145.81
11	B₂	401	387	0.10
12	B₂	370	357	0.16

Atom	y (Å)	z (Å)
C1	0.662	0.480
C2	-0.662	0.480
F3	1.389	1.622
F4	-1.389	1.622
Cl5	1.643	-1.028
Cl6	-1.643	-1.028

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3233	1.3542	2.3472	1.7991	2.7541
C2	1.3233		2.3472	1.3542	2.7541	1.7991
F3	1.3542	2.3472		2.7776	2.6624	4.0269
F4	2.3472	1.3542	2.7776		4.0269	2.6624
Cl5	1.7991	2.7541	2.6624	4.0269		3.2862
Cl6	2.7541	1.7991	4.0269	2.6624	3.2862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.479	C1	C2	Cl6	123.061
C2	C1	F3	122.479	C2	C1	Cl5	123.061
F3	C1	Cl5	114.460	F4	C2	Cl6	114.460

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

using model chemistry: B3LYP/3-21G

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	0.057
2	C	0.057
3	F	-0.224
4	F	-0.224
5	Cl	0.167
6	Cl	0.167

	x	y	z	Total
	0.000	0.000	-0.026	0.026
CHELPG
AIM
ESP

<r²>	246.964
(<r²>)^1/2	15.715