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	hartrees
Energy at 0K	-1195.552541
Energy at 298.15K	-1195.552913
HF Energy	-1195.552541
Nuclear repulsion energy	348.900120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1713	1685	14.10
2	A₁	1157	1137	325.93
3	A₁	552	543	2.85
4	A₁	319	314	2.10
5	A₁	163	160	1.16
6	A₂	483	475	0.00
7	A₂	141	138	0.00
8	B₁	334	329	0.18
9	B₂	1207	1187	22.93
10	B₂	928	913	167.60
11	B₂	418	411	0.01
12	B₂	404	397	0.21

Atom	y (Å)	z (Å)
C1	0.674	0.417
C2	-0.674	0.417
F3	1.337	1.581
F4	-1.337	1.581
Cl5	1.672	-0.984
Cl6	-1.672	-0.984

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3487	1.3395	2.3242	1.7205	2.7334
C2	1.3487		2.3242	1.3395	2.7334	1.7205
F3	1.3395	2.3242		2.6749	2.5871	3.9548
F4	2.3242	1.3395	2.6749		3.9548	2.5871
Cl5	1.7205	2.7334	2.5871	3.9548		3.3448
Cl6	2.7334	1.7205	3.9548	2.5871	3.3448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.673	C1	C2	Cl6	125.456
C2	C1	F3	119.673	C2	C1	Cl5	125.456
F3	C1	Cl5	114.872	F4	C2	Cl6	114.872

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

using model chemistry: PBEPBEultrafine/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	0.124
2	C	0.124
3	F	-0.197
4	F	-0.197
5	Cl	0.073
6	Cl	0.073

	x	y	z	Total
	0.000	0.000	-0.399	0.399
CHELPG
AIM
ESP

<r²>	240.835
(<r²>)^1/2	15.519