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	hartrees
Energy at 0K	-1195.794230
Energy at 298.15K
HF Energy	-1195.417127
Nuclear repulsion energy	352.942175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1775	1775	17.72
2	A₁	1203	1203	290.19
3	A₁	574	574	1.24
4	A₁	330	330	2.48
5	A₁	168	168	1.24
6	A₂	559	559	0.00
7	A₂	150	150	0.00
8	B₁	356	356	0.72
9	B₂	1244	1244	31.08
10	B₂	969	969	158.42
11	B₂	435	435	0.12
12	B₂	419	419	0.41

Atom	y (Å)	z (Å)
C1	0.667	0.420
C2	-0.667	0.420
F3	1.330	1.562
F4	-1.330	1.562
Cl5	1.647	-0.975
Cl6	-1.647	-0.975

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3333	1.3208	2.3004	1.7051	2.7016
C2	1.3333		2.3004	1.3208	2.7016	1.7051
F3	1.3208	2.3004		2.6605	2.5569	3.9116
F4	2.3004	1.3208	2.6605		3.9116	2.5569
Cl5	1.7051	2.7016	2.5569	3.9116		3.2937
Cl6	2.7016	1.7051	3.9116	2.5569	3.2937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.161	C1	C2	Cl6	125.089
C2	C1	F3	120.161	C2	C1	Cl5	125.089
F3	C1	Cl5	114.750	F4	C2	Cl6	114.750

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

using model chemistry: B2PLYP=FULLultrafine/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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