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	hartrees
Energy at 0K	-1196.203684
Energy at 298.15K	-1196.204271
HF Energy	-1196.203684
Nuclear repulsion energy	353.016224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1767	1699	18.57
2	A₁	1182	1136	337.26
3	A₁	575	553	0.90
4	A₁	334	321	2.30
5	A₁	168	162	1.04
6	A₂	570	549	0.00
7	A₂	148	142	0.00
8	B₁	351	337	0.15
9	B₂	1222	1175	34.30
10	B₂	971	934	171.04
11	B₂	434	417	0.11
12	B₂	419	403	0.28

Atom	y (Å)	z (Å)
C1	0.665	0.415
C2	-0.665	0.415
F3	1.330	1.562
F4	-1.330	1.562
Cl5	1.648	-0.973
Cl6	-1.648	-0.973

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3308	1.3254	2.3014	1.7011	2.6983
C2	1.3308		2.3014	1.3254	2.6983	1.7011
F3	1.3254	2.3014		2.6598	2.5553	3.9111
F4	2.3014	1.3254	2.6598		3.9111	2.5553
Cl5	1.7011	2.6983	2.5553	3.9111		3.2963
Cl6	2.6983	1.7011	3.9111	2.5553	3.2963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.087	C1	C2	Cl6	125.288
C2	C1	F3	120.087	C2	C1	Cl5	125.288
F3	C1	Cl5	114.624	F4	C2	Cl6	114.624

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

using model chemistry: B3PW91/cc-pVTZ

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	0.160
2	C	0.160
3	F	-0.121
4	F	-0.121
5	Cl	-0.038
6	Cl	-0.038

	x	y	z	Total
	0.000	0.000	-0.765	0.765
CHELPG
AIM
ESP

<r²>	236.002
(<r²>)^1/2	15.362