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	hartrees
Energy at 0K	-1196.079656
Energy at 298.15K	-1196.080222
HF Energy	-1196.079656
Nuclear repulsion energy	351.482891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1786	1724	16.59
2	A₁	1189	1148	349.98
3	A₁	574	554	1.03
4	A₁	328	316	2.26
5	A₁	169	163	1.28
6	A₂	555	536	0.00
7	A₂	147	142	0.00
8	B₁	355	343	0.24
9	B₂	1237	1194	32.95
10	B₂	965	931	186.37
11	B₂	432	417	0.07
12	B₂	418	403	0.21

Atom	y (Å)	z (Å)
C1	0.669	0.421
C2	-0.669	0.421
F3	1.339	1.569
F4	-1.339	1.569
Cl5	1.651	-0.979
Cl6	-1.651	-0.979

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3385	1.3290	2.3134	1.7104	2.7104
C2	1.3385		2.3134	1.3290	2.7104	1.7104
F3	1.3290	2.3134		2.6790	2.5669	3.9290
F4	2.3134	1.3290	2.6790		3.9290	2.5669
Cl5	1.7104	2.7104	2.5669	3.9290		3.3030
Cl6	2.7104	1.7104	3.9290	2.5669	3.3030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.287	C1	C2	Cl6	125.049
C2	C1	F3	120.287	C2	C1	Cl5	125.049
F3	C1	Cl5	114.664	F4	C2	Cl6	114.664

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

using model chemistry: B3PW91/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	0.132
2	C	0.132
3	F	-0.125
4	F	-0.125
5	Cl	-0.007
6	Cl	-0.007

	x	y	z	Total
	0.000	0.000	-0.684	0.684
CHELPG
AIM
ESP

<r²>	237.614
(<r²>)^1/2	15.415