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	hartrees
Energy at 0K	-1195.877659
Energy at 298.15K	-1195.878272
HF Energy	-1195.877659
Nuclear repulsion energy	353.827600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1780	1712	21.12
2	A₁	1193	1147	334.90
3	A₁	582	559	0.56
4	A₁	335	322	2.26
5	A₁	168	162	0.99
6	A₂	582	560	0.00
7	A₂	149	144	0.00
8	B₁	349	336	0.26
9	B₂	1228	1181	33.09
10	B₂	982	944	164.19
11	B₂	438	421	0.27
12	B₂	422	406	0.33

Atom	y (Å)	z (Å)
C1	0.665	0.413
C2	-0.665	0.413
F3	1.327	1.559
F4	-1.327	1.559
Cl5	1.644	-0.971
Cl6	-1.644	-0.971

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3291	1.3232	2.2973	1.6958	2.6920
C2	1.3291		2.2973	1.3232	2.6920	1.6958
F3	1.3232	2.2973		2.6535	2.5496	3.9021
F4	2.2973	1.3232	2.6535		3.9021	2.5496
Cl5	1.6958	2.6920	2.5496	3.9021		3.2885
Cl6	2.6920	1.6958	3.9021	2.5496	3.2885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.029	C1	C2	Cl6	125.290
C2	C1	F3	120.029	C2	C1	Cl5	125.290
F3	C1	Cl5	114.681	F4	C2	Cl6	114.681

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

using model chemistry: HSEh1PBE/aug-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	0.371
2	C	0.371
3	F	-0.265
4	F	-0.265
5	Cl	-0.106
6	Cl	-0.106

	x	y	z	Total
	0.000	0.000	-0.860	0.860
CHELPG
AIM
ESP

<r²>	235.308
(<r²>)^1/2	15.340