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	hartrees
Energy at 0K	-1194.641354
Energy at 298.15K	-1194.641777
HF Energy	-1193.585740
Nuclear repulsion energy	348.151320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1748	1696
2	A₁	1155	1121
3	A₁	558	542
4	A₁	327	317
5	A₁	161	157
6	A₂	478	464
7	A₂	144	139
8	B₁	322	313
9	B₂	1179	1143
10	B₂	952	924
11	B₂	424	411
12	B₂	406	394

Atom	y (Å)	z (Å)
C1	0.675	0.411
C2	-0.675	0.411
F3	1.342	1.584
F4	-1.342	1.584
Cl5	1.678	-0.984
Cl6	-1.678	-0.984

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3501	1.3497	2.3337	1.7178	2.7355
C2	1.3501		2.3337	1.3497	2.7355	1.7178
F3	1.3497	2.3337		2.6847	2.5894	3.9644
F4	2.3337	1.3497	2.6847		3.9644	2.5894
Cl5	1.7178	2.7355	2.5894	3.9644		3.3568
Cl6	2.7355	1.7178	3.9644	2.5894	3.3568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.630	C1	C2	Cl6	125.739
C2	C1	F3	119.630	C2	C1	Cl5	125.739
F3	C1	Cl5	114.630	F4	C2	Cl6	114.630

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

using model chemistry: QCISD(T)=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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