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	hartrees
Energy at 0K	-1188.444251
Energy at 298.15K	-1188.444945
HF Energy	-1187.847055
Nuclear repulsion energy	350.498269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1867	1738	2.54
2	A₁	1226	1141	206.67
3	A₁	575	535	1.21
4	A₁	326	303	2.84
5	A₁	183	170	2.10
6	A₂	641	596	0.00
7	A₂	159	148	0.00
8	B₁	382	355	3.29
9	B₂	1280	1191	10.31
10	B₂	976	908	145.65
11	B₂	456	425	0.07
12	B₂	415	386	1.33

Atom	y (Å)	z (Å)
C1	0.659	0.413
C2	-0.659	0.413
F3	1.347	1.587
F4	-1.347	1.587
Cl5	1.639	-0.986
Cl6	-1.639	-0.986

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3190	1.3611	2.3253	1.7078	2.6908
C2	1.3190		2.3253	1.3611	2.6908	1.7078
F3	1.3611	2.3253		2.6948	2.5899	3.9422
F4	2.3253	1.3611	2.6948		3.9422	2.5899
Cl5	1.7078	2.6908	2.5899	3.9422		3.2781
Cl6	2.6908	1.7078	3.9422	2.5899	3.2781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.358	C1	C2	Cl6	125.001
C2	C1	F3	120.358	C2	C1	Cl5	125.001
F3	C1	Cl5	114.641	F4	C2	Cl6	114.641

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

using model chemistry: CID/3-21G*

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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