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	hartrees
Energy at 0K	-1196.221456
Energy at 298.15K	-1196.221941
HF Energy	-1196.221456
Nuclear repulsion energy	350.047488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1774	1699	14.11
2	A₁	1184	1134	323.87
3	A₁	561	537	2.19
4	A₁	330	316	2.58
5	A₁	168	161	1.28
6	A₂	527	504	0.00
7	A₂	147	141	0.00
8	B₁	345	331	0.83
9	B₂	1235	1183	27.39
10	B₂	953	913	177.82
11	B₂	430	412	0.02
12	B₂	412	395	0.31

Atom	y (Å)	z (Å)
C1	0.668	0.415
C2	-0.668	0.415
F3	1.328	1.573
F4	-1.328	1.573
Cl5	1.674	-0.979
Cl6	-1.674	-0.979

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3360	1.3333	2.3078	1.7194	2.7256
C2	1.3360		2.3078	1.3333	2.7256	1.7194
F3	1.3333	2.3078		2.6559	2.5762	3.9406
F4	2.3078	1.3333	2.6559		3.9406	2.5762
Cl5	1.7194	2.7256	2.5762	3.9406		3.3480
Cl6	2.7256	1.7194	3.9406	2.5762	3.3480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.669	C1	C2	Cl6	125.810
C2	C1	F3	119.669	C2	C1	Cl5	125.810
F3	C1	Cl5	114.522	F4	C2	Cl6	114.522

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

using model chemistry: B3LYPultrafine/6-31G*

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	0.173
2	C	0.173
3	F	-0.232
4	F	-0.232
5	Cl	0.060
6	Cl	0.060

	x	y	z	Total
	0.000	0.000	-0.580	0.580
CHELPG
AIM
ESP

<r²>	239.838
(<r²>)^1/2	15.487