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	hartrees
Energy at 0K	-1196.193999
Energy at 298.15K	-1196.194581
HF Energy	-1196.193999
Nuclear repulsion energy	352.285979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1797	1711	15.98
2	A₁	1200	1142	369.22
3	A₁	582	554	0.76
4	A₁	334	318	2.56
5	A₁	169	161	1.10
6	A₂	561	534	0.00
7	A₂	149	142	0.00
8	B₁	349	332	0.35
9	B₂	1238	1178	29.66
10	B₂	983	936	184.34
11	B₂	439	418	0.20
12	B₂	423	403	0.50

Atom	y (Å)	z (Å)
C1	0.667	0.408
C2	-0.667	0.408
F3	1.326	1.563
F4	-1.326	1.563
Cl5	1.662	-0.971
Cl6	-1.662	-0.971

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3339	1.3299	2.3033	1.7005	2.7066
C2	1.3339		2.3033	1.3299	2.7066	1.7005
F3	1.3299	2.3033		2.6515	2.5563	3.9178
F4	2.3033	1.3299	2.6515		3.9178	2.5563
Cl5	1.7005	2.7066	2.5563	3.9178		3.3241
Cl6	2.7066	1.7005	3.9178	2.5563	3.3241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.696	C1	C2	Cl6	125.816
C2	C1	F3	119.696	C2	C1	Cl5	125.816
F3	C1	Cl5	114.488	F4	C2	Cl6	114.488

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.009
2	C	-0.009
3	F	-0.218
4	F	-0.218
5	Cl	0.227
6	Cl	0.227

	x	y	z	Total
	0.000	0.000	-1.074	1.074
CHELPG
AIM
ESP

<r²>	237.644
(<r²>)^1/2	15.416