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	hartrees
Energy at 0K	-1193.911121
Energy at 298.15K	-1193.911298
HF Energy	-1193.393730
Nuclear repulsion energy	334.631517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1693	1634	0.00
2	A_g	1074	1037	0.00
3	A_g	569	550	0.00
4	A_g	385	371	0.00
5	A_g	265	256	0.00
6	A_u	332	320	2.89
7	A_u	126	121	0.69
8	B_g	482	465	0.00
9	B_u	1091	1053	225.47
10	B_u	797	769	118.40
11	B_u	378	365	6.11
12	B_u	164	158	3.23

Atom	x (Å)	y (Å)
C1	-0.055	0.676
C2	0.055	-0.676
F3	-1.321	1.291
F4	1.321	-1.291
Cl5	1.321	1.828
Cl6	-1.321	-1.828

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3570	1.4068	2.4004	1.7941	2.8058
C2	1.3570		2.4004	1.4068	2.8058	1.7941
F3	1.4068	2.4004		3.6934	2.6952	3.1188
F4	2.4004	1.4068	3.6934		3.1188	2.6952
Cl5	1.7941	2.8058	2.6952	3.1188		4.5101
Cl6	2.8058	1.7941	3.1188	2.6952	4.5101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.563	C1	C2	Cl6	125.274
C2	C1	F3	120.563	C2	C1	Cl5	125.274
F3	C1	Cl5	114.163	F4	C2	Cl6	114.163

All results from a given calculation for CFClCClF (trans-1,2-dichloro-1,2-difluoroethylene)

using model chemistry: MP2/SDD

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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