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	hartrees
Energy at 0K	-1196.015781
Energy at 298.15K	-1196.016321
HF Energy	-1196.015781
Nuclear repulsion energy	351.534676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1787	1713	14.76
2	A₁	1205	1155	330.55
3	A₁	574	550	1.90
4	A₁	331	318	2.39
5	A₁	168	161	1.26
6	A₂	533	511	0.00
7	A₂	148	142	0.00
8	B₁	351	337	0.61
9	B₂	1256	1204	26.83
10	B₂	970	930	179.62
11	B₂	434	416	0.06
12	B₂	419	401	0.34

Atom	y (Å)	z (Å)
C1	0.668	0.413
C2	-0.668	0.413
F3	1.326	1.567
F4	-1.326	1.567
Cl5	1.663	-0.976
Cl6	-1.663	-0.976

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3361	1.3287	2.3043	1.7087	2.7138
C2	1.3361		2.3043	1.3287	2.7138	1.7087
F3	1.3287	2.3043		2.6530	2.5652	3.9251
F4	2.3043	1.3287	2.6530		3.9251	2.5652
Cl5	1.7087	2.7138	2.5652	3.9251		3.3269
Cl6	2.7138	1.7087	3.9251	2.5652	3.3269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.707	C1	C2	Cl6	125.629
C2	C1	F3	119.707	C2	C1	Cl5	125.629
F3	C1	Cl5	114.664	F4	C2	Cl6	114.664

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

using model chemistry: B3PW91/6-31G**

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	0.154
2	C	0.154
3	F	-0.229
4	F	-0.229
5	Cl	0.075
6	Cl	0.075

	x	y	z	Total
	0.000	0.000	-0.586	0.586
CHELPG
AIM
ESP

<r²>	237.853
(<r²>)^1/2	15.422