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	hartrees
Energy at 0K	-1195.743659
Energy at 298.15K	-1195.744096
HF Energy	-1195.743659
Nuclear repulsion energy	350.339244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1692	1680	16.77
2	A₁	1127	1119	332.66
3	A₁	554	550	1.31
4	A₁	322	320	2.00
5	A₁	163	161	0.95
6	A₂	523	519	0.00
7	A₂	140	139	0.00
8	B₁	333	330	0.01
9	B₂	1164	1156	28.88
10	B₂	931	924	158.39
11	B₂	417	415	0.05
12	B₂	405	402	0.21

Atom	y (Å)	z (Å)
C1	0.672	0.417
C2	-0.672	0.417
F3	1.341	1.576
F4	-1.341	1.576
Cl5	1.658	-0.982
Cl6	-1.658	-0.982

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3430	1.3386	2.3227	1.7112	2.7167
C2	1.3430		2.3227	1.3386	2.7167	1.7112
F3	1.3386	2.3227		2.6827	2.5769	3.9413
F4	2.3227	1.3386	2.6827		3.9413	2.5769
Cl5	1.7112	2.7167	2.5769	3.9413		3.3151
Cl6	2.7167	1.7112	3.9413	2.5769	3.3151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.027	C1	C2	Cl6	125.187
C2	C1	F3	120.027	C2	C1	Cl5	125.187
F3	C1	Cl5	114.787	F4	C2	Cl6	114.787

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

using model chemistry: PBEPBEultrafine/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	0.129
2	C	0.129
3	F	-0.100
4	F	-0.100
5	Cl	-0.029
6	Cl	-0.029

	x	y	z	Total
	0.000	0.000	-0.698	0.698
CHELPG
AIM
ESP

<r²>	239.112
(<r²>)^1/2	15.463