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	hartrees
Energy at 0K	-1194.666192
Energy at 298.15K	-1194.666809
HF Energy	-1193.533846
Nuclear repulsion energy	353.051695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1821	1722	16.93
2	A₁	1236	1169	273.74
3	A₁	581	550	0.56
4	A₁	334	315	2.58
5	A₁	170	161	1.23
6	A₂	568	537	0.00
7	A₂	152	144	0.00
8	B₁	360	340	1.18
9	B₂	1278	1208	28.50
10	B₂	991	937	154.99
11	B₂	440	416	0.28
12	B₂	423	400	0.70

Atom	y (Å)	z (Å)
C1	0.665	0.419
C2	-0.665	0.419
F3	1.328	1.561
F4	-1.328	1.561
Cl5	1.649	-0.974
Cl6	-1.649	-0.974

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3308	1.3197	2.2969	1.7058	2.7014
C2	1.3308		2.2969	1.3197	2.7014	1.7058
F3	1.3197	2.2969		2.6558	2.5554	3.9099
F4	2.2969	1.3197	2.6558		3.9099	2.5554
Cl5	1.7058	2.7014	2.5554	3.9099		3.2973
Cl6	2.7014	1.7058	3.9099	2.5554	3.2973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.134	C1	C2	Cl6	125.200
C2	C1	F3	120.134	C2	C1	Cl5	125.200
F3	C1	Cl5	114.666	F4	C2	Cl6	114.666

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

using model chemistry: CCSD/6-31G(2df,p)

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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