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	hartrees
Energy at 0K	-1194.604399
Energy at 298.15K	-1194.604923
HF Energy	-1193.587229
Nuclear repulsion energy	349.356814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1800	1800	13.61
2	A₁	1183	1183	296.89
3	A₁	569	569	0.01
4	A₁	333	333	2.52
5	A₁	165	165	0.98
6	A₂	520	520	0.00
7	A₂	149	149	0.00
8	B₁	336	336	0.78
9	B₂	1211	1211	16.47
10	B₂	972	972	160.90
11	B₂	432	432	0.66
12	B₂	413	413	0.70

Atom	y (Å)	z (Å)
C1	0.671	0.411
C2	-0.671	0.411
F3	1.337	1.577
F4	-1.337	1.577
Cl5	1.674	-0.980
Cl6	-1.674	-0.980

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3423	1.3435	2.3227	1.7146	2.7265
C2	1.3423		2.3227	1.3435	2.7265	1.7146
F3	1.3435	2.3227		2.6745	2.5795	3.9508
F4	2.3227	1.3435	2.6745		3.9508	2.5795
Cl5	1.7146	2.7265	2.5795	3.9508		3.3482
Cl6	2.7265	1.7146	3.9508	2.5795	3.3482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.724	C1	C2	Cl6	125.799
C2	C1	F3	119.724	C2	C1	Cl5	125.799
F3	C1	Cl5	114.477	F4	C2	Cl6	114.477

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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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