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	hartrees
Energy at 0K	-1196.285928
Energy at 298.15K	-1196.286455
HF Energy	-1196.285928
Nuclear repulsion energy	349.883297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1770	1717	15.62
2	A₁	1167	1132	340.60
3	A₁	561	544	1.27
4	A₁	327	317	2.43
5	A₁	168	163	1.29
6	A₂	551	535	0.00
7	A₂	146	142	0.00
8	B₁	350	339	0.32
9	B₂	1217	1180	32.49
10	B₂	949	921	183.12
11	B₂	428	415	0.03
12	B₂	412	399	0.17

Atom	y (Å)	z (Å)
C1	0.669	0.422
C2	-0.669	0.422
F3	1.341	1.575
F4	-1.341	1.575
Cl5	1.663	-0.983
Cl6	-1.663	-0.983

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3390	1.3340	2.3172	1.7212	2.7235
C2	1.3390		2.3172	1.3340	2.7235	1.7212
F3	1.3340	2.3172		2.6810	2.5785	3.9457
F4	2.3172	1.3340	2.6810		3.9457	2.5785
Cl5	1.7212	2.7235	2.5785	3.9457		3.3269
Cl6	2.7235	1.7212	3.9457	2.5785	3.3269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.199	C1	C2	Cl6	125.273
C2	C1	F3	120.199	C2	C1	Cl5	125.273
F3	C1	Cl5	114.528	F4	C2	Cl6	114.528

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

using model chemistry: B3LYPultrafine/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	0.134
2	C	0.134
3	F	-0.126
4	F	-0.126
5	Cl	-0.009
6	Cl	-0.009

	x	y	z	Total
	0.000	0.000	-0.707	0.707
CHELPG
AIM
ESP

<r²>	239.731
(<r²>)^1/2	15.483