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	hartrees
Energy at 0K	-1181.721475
Energy at 298.15K	-1181.721359
HF Energy	-1181.721475
Nuclear repulsion energy	337.869148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1731	1581	12.06
2	A₁	1222	1117	144.84
3	A₁	552	504	11.52
4	A₁	294	268	0.27
5	A₁	151	138	1.09
6	A₂	400	366	0.00
7	A₂	126	115	0.00
8	B₁	329	300	0.50
9	B₂	1361	1243	5.64
10	B₂	918	839	105.19
11	B₂	391	358	0.21
12	B₂	382	349	1.89

Atom	y (Å)	z (Å)
C1	0.691	0.499
C2	-0.691	0.499
F3	1.428	1.645
F4	-1.428	1.645
Cl5	1.654	-1.047
Cl6	-1.654	-1.047

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3818	1.3634	2.4095	1.8211	2.8086
C2	1.3818		2.4095	1.3634	2.8086	1.8211
F3	1.3634	2.4095		2.8562	2.7019	4.0926
F4	2.4095	1.3634	2.8562		4.0926	2.7019
Cl5	1.8211	2.8086	2.7019	4.0926		3.3083
Cl6	2.8086	1.8211	4.0926	2.7019	3.3083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.731	C1	C2	Cl6	121.932
C2	C1	F3	122.731	C2	C1	Cl5	121.932
F3	C1	Cl5	115.336	F4	C2	Cl6	115.336

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

using model chemistry: PBEPBE/STO-3G

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	0.076
2	C	0.076
3	F	0.016
4	F	0.016
5	Cl	-0.092
6	Cl	-0.092

	x	y	z	Total
	0.000	0.000	2.442	2.442
CHELPG
AIM
ESP

<r²>	250.661
(<r²>)^1/2	15.832