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	hartrees
Energy at 0K	-1196.320454
Energy at 298.15K	-1196.320923
HF Energy	-1196.320454
Nuclear repulsion energy	350.037444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1754	1697	16.14
2	A₁	1144	1106	339.93
3	A₁	563	545	0.47
4	A₁	319	308	2.09
5	A₁	161	155	1.05
6	A₂	530	512	0.00
7	A₂	145	140	0.00
8	B₁	336	325	0.23
9	B₂	1167	1129	25.73
10	B₂	948	917	168.64
11	B₂	424	410	0.24
12	B₂	405	392	0.41

Atom	y (Å)	z (Å)
C1	0.670	0.414
C2	-0.670	0.414
F3	1.341	1.576
F4	-1.341	1.576
Cl5	1.663	-0.980
Cl6	-1.663	-0.980

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3403	1.3414	2.3228	1.7121	2.7185
C2	1.3403		2.3228	1.3414	2.7185	1.7121
F3	1.3414	2.3228		2.6829	2.5762	3.9448
F4	2.3228	1.3414	2.6829		3.9448	2.5762
Cl5	1.7121	2.7185	2.5762	3.9448		3.3267
Cl6	2.7185	1.7121	3.9448	2.5762	3.3267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.030	C1	C2	Cl6	125.456
C2	C1	F3	120.030	C2	C1	Cl5	125.456
F3	C1	Cl5	114.514	F4	C2	Cl6	114.514

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

using model chemistry: TPSSh/aug-cc-pVDZ

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	0.527
2	C	0.527
3	F	-0.467
4	F	-0.467
5	Cl	-0.060
6	Cl	-0.060

	x	y	z	Total
	0.000	0.000	-0.894	0.894
CHELPG
AIM
ESP

<r²>	239.911
(<r²>)^1/2	15.489