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	hartrees
Energy at 0K	-1195.751336
Energy at 298.15K	-1195.751767
HF Energy	-1195.751336
Nuclear repulsion energy	350.320988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1686	1667	18.99
2	A₁	1120	1107	338.65
3	A₁	553	547	0.94
4	A₁	322	318	1.96
5	A₁	162	160	0.89
6	A₂	527	521	0.00
7	A₂	140	138	0.00
8	B₁	328	325	0.07
9	B₂	1149	1137	27.91
10	B₂	931	921	152.80
11	B₂	417	413	0.13
12	B₂	404	400	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	1.3402	2.3231	1.7094	2.7167
C2	1.3430		2.3231	1.3402	2.7167	1.7094
F3	1.3402	2.3231		2.6809	2.5759	3.9415
F4	2.3231	1.3402	2.6809		3.9415	2.5759
Cl5	1.7094	2.7167	2.5759	3.9415		3.3197
Cl6	2.7167	1.7094	3.9415	2.5759	3.3197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.941	C1	C2	Cl6	125.322
C2	C1	F3	119.941	C2	C1	Cl5	125.322
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: PBEPBEultrafine/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>	239.537
(<r²>)^1/2	15.477