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	hartrees
Energy at 0K	-1196.415052
Energy at 298.15K	-1196.415566
HF Energy	-1196.415052
Nuclear repulsion energy	351.838480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1746	1690	17.40
2	A₁	1158	1121	340.88
3	A₁	565	547	1.10
4	A₁	325	314	2.21
5	A₁	162	157	1.11
6	A₂	545	528	0.00
7	A₂	146	141	0.00
8	B₁	345	334	0.12
9	B₂	1194	1156	33.02
10	B₂	954	924	171.64
11	B₂	429	415	0.08
12	B₂	410	397	0.30

Atom	y (Å)	z (Å)
C1	0.667	0.416
C2	-0.667	0.416
F3	1.335	1.569
F4	-1.335	1.569
Cl5	1.652	-0.977
Cl6	-1.652	-0.977

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3335	1.3325	2.3098	1.7060	2.7048
C2	1.3335		2.3098	1.3325	2.7048	1.7060
F3	1.3325	2.3098		2.6694	2.5656	3.9243
F4	2.3098	1.3325	2.6694		3.9243	2.5656
Cl5	1.7060	2.7048	2.5656	3.9243		3.3035
Cl6	2.7048	1.7060	3.9243	2.5656	3.3035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.083	C1	C2	Cl6	125.266
C2	C1	F3	120.083	C2	C1	Cl5	125.266
F3	C1	Cl5	114.650	F4	C2	Cl6	114.650

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

using model chemistry: TPSSh/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	0.168
2	C	0.168
3	F	-0.122
4	F	-0.122
5	Cl	-0.046
6	Cl	-0.046

	x	y	z	Total
	0.000	0.000	-0.740	0.740
CHELPG
AIM
ESP

<r²>	237.314
(<r²>)^1/2	15.405