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	hartrees
Energy at 0K	-1182.418342
Energy at 298.15K	-1182.418435
HF Energy	-1182.418342
Nuclear repulsion energy	341.359747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1826	1605	11.30
2	A₁	1278	1123	141.47
3	A₁	582	512	9.09
4	A₁	303	266	0.39
5	A₁	158	139	1.40
6	A₂	476	419	0.00
7	A₂	137	120	0.00
8	B₁	349	307	2.11
9	B₂	1405	1235	8.27
10	B₂	972	855	109.27
11	B₂	415	365	0.05
12	B₂	397	349	2.25

Atom	y (Å)	z (Å)
C1	0.682	0.487
C2	-0.682	0.487
F3	1.411	1.628
F4	-1.411	1.628
Cl5	1.642	-1.034
Cl6	-1.642	-1.034

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3639	1.3543	2.3842	1.7987	2.7773
C2	1.3639		2.3842	1.3543	2.7773	1.7987
F3	1.3543	2.3842		2.8230	2.6721	4.0508
F4	2.3842	1.3543	2.8230		4.0508	2.6721
Cl5	1.7987	2.7773	2.6721	4.0508		3.2835
Cl6	2.7773	1.7987	4.0508	2.6721	3.2835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.594	C1	C2	Cl6	122.251
C2	C1	F3	122.594	C2	C1	Cl5	122.251
F3	C1	Cl5	115.155	F4	C2	Cl6	115.155

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

using model chemistry: mPW1PW91/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	0.105
2	C	0.105
3	F	-0.017
4	F	-0.017
5	Cl	-0.088
6	Cl	-0.088

	x	y	z	Total
	0.000	0.000	2.047	2.047
CHELPG
AIM
ESP

<r²>	246.494
(<r²>)^1/2	15.700