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	hartrees
Energy at 0K	-1195.617725
Energy at 298.15K	-1195.618144
HF Energy	-1195.617725
Nuclear repulsion energy	348.853412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1711	1701	15.27
2	A₁	1140	1134	341.12
3	A₁	554	551	1.59
4	A₁	317	315	1.95
5	A₁	163	162	1.15
6	A₂	508	505	0.00
7	A₂	140	139	0.00
8	B₁	338	336	0.01
9	B₂	1187	1180	27.32
10	B₂	927	921	171.79
11	B₂	415	413	0.02
12	B₂	403	401	0.11

Atom	y (Å)	z (Å)
C1	0.676	0.424
C2	-0.676	0.424
F3	1.351	1.583
F4	-1.351	1.583
Cl5	1.660	-0.988
Cl6	-1.660	-0.988

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3512	1.3408	2.3340	1.7213	2.7294
C2	1.3512		2.3340	1.3408	2.7294	1.7213
F3	1.3408	2.3340		2.7013	2.5888	3.9588
F4	2.3340	1.3408	2.7013		3.9588	2.5888
Cl5	1.7213	2.7294	2.5888	3.9588		3.3207
Cl6	2.7294	1.7213	3.9588	2.5888	3.3207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.231	C1	C2	Cl6	124.897
C2	C1	F3	120.231	C2	C1	Cl5	124.897
F3	C1	Cl5	114.872	F4	C2	Cl6	114.872

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	0.094
2	C	0.094
3	F	-0.094
4	F	-0.094
5	Cl	0.000
6	Cl	0.000

	x	y	z	Total
	0.000	0.000	-0.546	0.546
CHELPG
AIM
ESP

<r²>	240.559
(<r²>)^1/2	15.510