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	hartrees
Energy at 0K	-1182.489407
Energy at 298.15K	-1182.489381
HF Energy	-1182.489407
Nuclear repulsion energy	339.186876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1774	1774	11.80
2	A₁	1243	1243	143.01
3	A₁	563	563	10.41
4	A₁	298	298	0.34
5	A₁	153	153	1.25
6	A₂	426	426	0.00
7	A₂	133	133	0.00
8	B₁	342	342	1.13
9	B₂	1376	1376	7.41
10	B₂	941	941	109.52
11	B₂	402	402	0.18
12	B₂	387	387	1.91

Atom	y (Å)	z (Å)
C1	0.686	0.494
C2	-0.686	0.494
F3	1.422	1.639
F4	-1.422	1.639
Cl5	1.649	-1.042
Cl6	-1.649	-1.042

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3725	1.3608	2.3990	1.8133	2.7954
C2	1.3725		2.3990	1.3608	2.7954	1.8133
F3	1.3608	2.3990		2.8439	2.6911	4.0769
F4	2.3990	1.3608	2.8439		4.0769	2.6911
Cl5	1.8133	2.7954	2.6911	4.0769		3.2978
Cl6	2.7954	1.8133	4.0769	2.6911	3.2978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.726	C1	C2	Cl6	122.064
C2	C1	F3	122.726	C2	C1	Cl5	122.064
F3	C1	Cl5	115.210	F4	C2	Cl6	115.210

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

using model chemistry: TPSSh/STO-3G

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	0.096
2	C	0.096
3	F	-0.004
4	F	-0.004
5	Cl	-0.092
6	Cl	-0.092

	x	y	z	Total
	0.000	0.000	2.251	2.251
CHELPG
AIM
ESP

<r²>	249.091
(<r²>)^1/2	15.783