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	hartrees
Energy at 0K	-1195.751332
Energy at 298.15K	-1195.751765
HF Energy	-1195.751332
Nuclear repulsion energy	350.333177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1687	1676	18.82
2	A₁	1120	1112	338.77
3	A₁	554	550	0.90
4	A₁	321	319	1.96
5	A₁	162	161	0.89
6	A₂	527	524	0.00
7	A₂	140	139	0.00
8	B₁	329	327	0.07
9	B₂	1149	1142	27.60
10	B₂	932	926	153.03
11	B₂	418	415	0.14
12	B₂	404	402	0.28

Atom	y (Å)	z (Å)
C1	0.672	0.414
C2	-0.672	0.414
F3	1.340	1.576
F4	-1.340	1.576
Cl5	1.660	-0.980
Cl6	-1.660	-0.980

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3430	1.3403	2.3231	1.7092	2.7166
C2	1.3430		2.3231	1.3403	2.7166	1.7092
F3	1.3403	2.3231		2.6808	2.5758	3.9413
F4	2.3231	1.3403	2.6808		3.9413	2.5758
Cl5	1.7092	2.7166	2.5758	3.9413		3.3196
Cl6	2.7166	1.7092	3.9413	2.5758	3.3196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.938	C1	C2	Cl6	125.325
C2	C1	F3	119.938	C2	C1	Cl5	125.325
F3	C1	Cl5	114.737	F4	C2	Cl6	114.737

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

using model chemistry: PBEPBE/aug-cc-pVTZ

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	0.333
2	C	0.333
3	F	-0.254
4	F	-0.254
5	Cl	-0.079
6	Cl	-0.079

	x	y	z	Total
	0.000	0.000	-0.840	0.840
CHELPG
AIM
ESP

<r²>	239.523
(<r²>)^1/2	15.477