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	hartrees
Energy at 0K	-1196.359181
Energy at 298.15K	-1196.359698
HF Energy	-1196.359181
Nuclear repulsion energy	350.526493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1756	1697	16.42
2	A₁	1154	1115	363.15
3	A₁	557	539	1.70
4	A₁	333	322	2.93
5	A₁	171	165	1.40
6	A₂	550	532	0.00
7	A₂	146	141	0.00
8	B₁	344	332	0.33
9	B₂	1197	1156	30.71
10	B₂	947	915	195.10
11	B₂	429	415	0.04
12	B₂	415	401	0.19

Atom	y (Å)	z (Å)
C1	0.666	0.417
C2	-0.666	0.417
F3	1.332	1.570
F4	-1.332	1.570
Cl5	1.669	-0.978
Cl6	-1.669	-0.978

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3322	1.3319	2.3072	1.7181	2.7201
C2	1.3322		2.3072	1.3319	2.7201	1.7181
F3	1.3319	2.3072		2.6643	2.5705	3.9371
F4	2.3072	1.3319	2.6643		3.9371	2.5705
Cl5	1.7181	2.7201	2.5705	3.9371		3.3380
Cl6	2.7201	1.7181	3.9371	2.5705	3.3380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.006	C1	C2	Cl6	125.713
C2	C1	F3	120.006	C2	C1	Cl5	125.713
F3	C1	Cl5	114.281	F4	C2	Cl6	114.281

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

using model chemistry: B3LYPultrafine/6-311G*

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	0.159
2	C	0.159
3	F	-0.169
4	F	-0.169
5	Cl	0.010
6	Cl	0.010

	x	y	z	Total
	0.000	0.000	-0.819	0.819
CHELPG
AIM
ESP

<r²>	239.944
(<r²>)^1/2	15.490