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	hartrees
Energy at 0K	-1190.440529
Energy at 298.15K	-1190.441136
HF Energy	-1190.440529
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1802	1708	5.13
2	A₁	1182	1121	235.20
3	A₁	559	529	2.76
4	A₁	319	303	2.30
5	A₁	181	171	1.86
6	A₂	624	592	0.00
7	A₂	152	144	0.00
8	B₁	376	357	0.98
9	B₂	1237	1173	15.39
10	B₂	937	888	144.13
11	B₂	442	419	0.07
12	B₂	403	382	0.29

Atom	y (Å)	z (Å)
C1	0.663	0.426
C2	-0.663	0.426
F3	1.360	1.591
F4	-1.360	1.591
Cl5	1.622	-0.992
Cl6	-1.622	-0.992

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3266	1.3568	2.3341	1.7120	2.6897
C2	1.3266		2.3341	1.3568	2.6897	1.7120
F3	1.3568	2.3341		2.7192	2.5963	3.9448
F4	2.3341	1.3568	2.7192		3.9448	2.5963
Cl5	1.7120	2.6897	2.5963	3.9448		3.2439
Cl6	2.6897	1.7120	3.9448	2.5963	3.2439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.877	C1	C2	Cl6	124.054
C2	C1	F3	120.877	C2	C1	Cl5	124.054
F3	C1	Cl5	115.069	F4	C2	Cl6	115.069

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

using model chemistry: wB97X-D/3-21G*

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	0.142
2	C	0.142
3	F	-0.253
4	F	-0.253
5	Cl	0.110
6	Cl	0.110

	x	y	z	Total
	0.000	0.000	-0.889	0.889
CHELPG
AIM
ESP

<r²>	237.925
(<r²>)^1/2	15.425