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	hartrees
Energy at 0K	-1188.554551
Energy at 298.15K	-1188.555088
HF Energy	-1187.844996
Nuclear repulsion energy	347.787284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1775	1698	2.42
2	A₁	1176	1124	180.23
3	A₁	549	525	1.53
4	A₁	314	300	2.55
5	A₁	177	169	1.99
6	A₂	587	562	0.00
7	A₂	150	144	0.00
8	B₁	359	344	2.99
9	B₂	1237	1183	4.11
10	B₂	935	894	122.37
11	B₂	437	418	0.00
12	B₂	400	383	1.64

Atom	y (Å)	z (Å)
C1	0.667	0.419
C2	-0.667	0.419
F3	1.362	1.602
F4	-1.362	1.602
Cl5	1.645	-0.996
Cl6	-1.645	-0.996

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3331	1.3719	2.3480	1.7205	2.7106
C2	1.3331		2.3480	1.3719	2.7106	1.7205
F3	1.3719	2.3480		2.7238	2.6129	3.9738
F4	2.3480	1.3719	2.7238		3.9738	2.6129
Cl5	1.7205	2.7106	2.6129	3.9738		3.2910
Cl6	2.7106	1.7205	3.9738	2.6129	3.2910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.456	C1	C2	Cl6	124.679
C2	C1	F3	120.456	C2	C1	Cl5	124.679
F3	C1	Cl5	114.865	F4	C2	Cl6	114.865

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

using model chemistry: CCD/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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