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	hartrees
Energy at 0K	-1195.806775
Energy at 298.15K
HF Energy	-1195.480614
Nuclear repulsion energy	349.782658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1763	1696	15.10
2	A₁	1154	1110	323.98
3	A₁	565	544	0.20
4	A₁	329	316	2.35
5	A₁	165	159	0.99
6	A₂	538	518	0.00
7	A₂	147	141	0.00
8	B₁	335	322	0.40
9	B₂	1177	1133	21.17
10	B₂	958	922	168.17
11	B₂	428	412	0.34
12	B₂	411	395	0.46

Atom	y (Å)	z (Å)
C1	0.670	0.412
C2	-0.670	0.412
F3	1.337	1.576
F4	-1.337	1.576
Cl5	1.670	-0.980
Cl6	-1.670	-0.980

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3406	1.3416	2.3208	1.7132	2.7226
C2	1.3406		2.3208	1.3416	2.7226	1.7132
F3	1.3416	2.3208		2.6749	2.5769	3.9464
F4	2.3208	1.3416	2.6749		3.9464	2.5769
Cl5	1.7132	2.7226	2.5769	3.9464		3.3398
Cl6	2.7226	1.7132	3.9464	2.5769	3.3398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.819	C1	C2	Cl6	125.695
C2	C1	F3	119.819	C2	C1	Cl5	125.695
F3	C1	Cl5	114.486	F4	C2	Cl6	114.486

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

using model chemistry: B2PLYP=FULLultrafine/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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