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	hartrees
Energy at 0K	-1196.245104
Energy at 298.15K	-1196.245606
HF Energy	-1196.245104
Nuclear repulsion energy	349.829556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1762	1697	15.00
2	A₁	1157	1114	368.05
3	A₁	562	541	1.00
4	A₁	331	319	2.69
5	A₁	168	162	1.10
6	A₂	543	523	0.00
7	A₂	145	140	0.00
8	B₁	338	325	0.49
9	B₂	1195	1150	29.26
10	B₂	954	918	182.37
11	B₂	431	415	0.09
12	B₂	413	397	0.46

Atom	y (Å)	z (Å)
C1	0.668	0.409
C2	-0.668	0.409
F3	1.331	1.573
F4	-1.331	1.573
Cl5	1.678	-0.977
Cl6	-1.678	-0.977

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3366	1.3395	2.3136	1.7148	2.7252
C2	1.3366		2.3136	1.3395	2.7252	1.7148
F3	1.3395	2.3136		2.6626	2.5734	3.9444
F4	2.3136	1.3395	2.6626		3.9444	2.5734
Cl5	1.7148	2.7252	2.5734	3.9444		3.3562
Cl6	2.7252	1.7148	3.9444	2.5734	3.3562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.668	C1	C2	Cl6	126.076
C2	C1	F3	119.668	C2	C1	Cl5	126.076
F3	C1	Cl5	114.255	F4	C2	Cl6	114.255

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

using model chemistry: B3LYPultrafine/6-31+G**

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	0.070
2	C	0.070
3	F	-0.237
4	F	-0.237
5	Cl	0.166
6	Cl	0.166

	x	y	z	Total
	0.000	0.000	-1.132	1.132
CHELPG
AIM
ESP

<r²>	240.980
(<r²>)^1/2	15.524