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	hartrees
Energy at 0K	-1196.266582
Energy at 298.15K	-1196.267161
HF Energy	-1196.266582
Nuclear repulsion energy	352.055381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1798	1723	17.78
2	A₁	1185	1136	335.14
3	A₁	581	557	0.29
4	A₁	331	317	2.25
5	A₁	167	160	1.01
6	A₂	565	541	0.00
7	A₂	148	142	0.00
8	B₁	345	331	0.31
9	B₂	1212	1162	27.75
10	B₂	977	937	169.94
11	B₂	433	415	0.36
12	B₂	418	400	0.38

Atom	y (Å)	z (Å)
C1	0.668	0.414
C2	-0.668	0.414
F3	1.334	1.565
F4	-1.334	1.565
Cl5	1.655	-0.975
Cl6	-1.655	-0.975

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3350	1.3303	2.3089	1.7037	2.7058
C2	1.3350		2.3089	1.3303	2.7058	1.7037
F3	1.3303	2.3089		2.6676	2.5601	3.9221
F4	2.3089	1.3303	2.6676		3.9221	2.5601
Cl5	1.7037	2.7058	2.5601	3.9221		3.3098
Cl6	2.7058	1.7037	3.9221	2.5601	3.3098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.055	C1	C2	Cl6	125.419
C2	C1	F3	120.055	C2	C1	Cl5	125.419
F3	C1	Cl5	114.526	F4	C2	Cl6	114.526

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.509
2	C	0.509
3	F	-0.475
4	F	-0.475
5	Cl	-0.034
6	Cl	-0.034

	x	y	z	Total
	0.000	0.000	-0.904	0.904
CHELPG
AIM
ESP

<r²>	237.546
(<r²>)^1/2	15.413