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	hartrees
Energy at 0K	-1194.899881
Energy at 298.15K	-1194.900507
HF Energy	-1193.690576
Nuclear repulsion energy	351.084198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1817	1710	0.00
2	A_g	1251	1178	0.00
3	A_g	654	616	0.00
4	A_g	436	410	0.00
5	A_g	294	276	0.00
6	A_u	379	357	1.00
7	A_u	138	130	0.22
8	B_g	566	533	0.00
9	B_u	1279	1204	282.96
10	B_u	907	854	162.18
11	B_u	434	408	3.45
12	B_u	180	169	2.07

Atom	x (Å)	y (Å)
C1	-0.064	0.661
C2	0.064	-0.661
F3	-1.255	1.235
F4	1.255	-1.235
Cl5	1.255	1.745
Cl6	-1.255	-1.745

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3284	1.3217	2.3101	1.7073	2.6843
C2	1.3284		2.3101	1.3217	2.6843	1.7073
F3	1.3217	2.3101		3.5217	2.5610	2.9799
F4	2.3101	1.3217	3.5217		2.9799	2.5610
Cl5	1.7073	2.6843	2.5610	2.9799		4.2983
Cl6	2.6843	1.7073	2.9799	2.5610	4.2983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.310	C1	C2	Cl6	123.835
C2	C1	F3	121.310	C2	C1	Cl5	123.835
F3	C1	Cl5	114.855	F4	C2	Cl6	114.855

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

using model chemistry: CCSD/cc-pVTZ

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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