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	hartrees
Energy at 0K	-1195.650002
Energy at 298.15K	-1195.650401
HF Energy	-1195.650002
Nuclear repulsion energy	348.492191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1702	1692	15.62
2	A₁	1113	1106	341.21
3	A₁	554	550	0.54
4	A₁	318	316	1.91
5	A₁	160	159	0.90
6	A₂	515	512	0.00
7	A₂	139	138	0.00
8	B₁	324	322	0.07
9	B₂	1134	1127	22.88
10	B₂	928	923	158.94
11	B₂	413	411	0.22
12	B₂	400	397	0.31

Atom	y (Å)	z (Å)
C1	0.675	0.413
C2	-0.675	0.413
F3	1.347	1.582
F4	-1.347	1.582
Cl5	1.672	-0.984
Cl6	-1.672	-0.984

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3500	1.3481	2.3352	1.7166	2.7317
C2	1.3500		2.3352	1.3481	2.7317	1.7166
F3	1.3481	2.3352		2.6931	2.5866	3.9622
F4	2.3352	1.3481	2.6931		3.9622	2.5866
Cl5	1.7166	2.7317	2.5866	3.9622		3.3450
Cl6	2.7317	1.7166	3.9622	2.5866	3.3450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.877	C1	C2	Cl6	125.527
C2	C1	F3	119.877	C2	C1	Cl5	125.527
F3	C1	Cl5	114.595	F4	C2	Cl6	114.595

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

using model chemistry: PBEPBEultrafine/aug-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	0.459
2	C	0.459
3	F	-0.426
4	F	-0.426
5	Cl	-0.033
6	Cl	-0.033

	x	y	z	Total
	0.000	0.000	-0.882	0.882
CHELPG
AIM
ESP

<r²>	241.984
(<r²>)^1/2	15.556