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	hartrees
Energy at 0K	-1196.201828
Energy at 298.15K	-1196.202431
HF Energy	-1196.201828
Nuclear repulsion energy	354.045649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1798	1717	18.66
2	A₁	1221	1166	303.53
3	A₁	584	557	1.33
4	A₁	332	317	2.33
5	A₁	168	160	1.21
6	A₂	569	543	0.00
7	A₂	150	143	0.00
8	B₁	360	344	0.54
9	B₂	1266	1209	34.08
10	B₂	982	937	163.76
11	B₂	438	418	0.13
12	B₂	423	404	0.32

Atom	y (Å)	z (Å)
C1	0.666	0.420
C2	-0.666	0.420
F3	1.328	1.556
F4	-1.328	1.556
Cl5	1.641	-0.972
Cl6	-1.641	-0.972

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3319	1.3155	2.2950	1.6994	2.6944
C2	1.3319		2.2950	1.3155	2.6944	1.6994
F3	1.3155	2.2950		2.6553	2.5480	3.8998
F4	2.2950	1.3155	2.6553		3.8998	2.5480
Cl5	1.6994	2.6944	2.5480	3.8998		3.2825
Cl6	2.6944	1.6994	3.8998	2.5480	3.2825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.199	C1	C2	Cl6	125.024
C2	C1	F3	120.199	C2	C1	Cl5	125.024
F3	C1	Cl5	114.777	F4	C2	Cl6	114.777

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.134
2	C	0.134
3	F	-0.066
4	F	-0.066
5	Cl	-0.067
6	Cl	-0.067

	x	y	z	Total
	0.000	0.000	-0.449	0.449
CHELPG
AIM
ESP

<r²>	234.436
(<r²>)^1/2	15.311