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	hartrees
Energy at 0K	-1194.630447
Energy at 298.15K	-1194.631052
HF Energy	-1193.536277
Nuclear repulsion energy	351.943741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1784	1685	0.00
2	A_g	1244	1175	0.00
3	A_g	654	618	0.00
4	A_g	438	413	0.00
5	A_g	294	277	0.00
6	A_u	378	357	1.16
7	A_u	140	132	0.06
8	B_g	558	527	0.00
9	B_u	1294	1222	256.33
10	B_u	913	863	168.62
11	B_u	433	409	2.64
12	B_u	177	167	2.23

Atom	x (Å)	y (Å)
C1	-0.070	0.664
C2	0.070	-0.664
F3	-1.257	1.235
F4	1.257	-1.235
Cl5	1.257	1.729
Cl6	-1.257	-1.729

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3356	1.3170	2.3166	1.7016	2.6714
C2	1.3356		2.3166	1.3170	2.6714	1.7016
F3	1.3170	2.3166		3.5240	2.5623	2.9637
F4	2.3166	1.3170	3.5240		2.9637	2.5623
Cl5	1.7016	2.6714	2.5623	2.9637		4.2755
Cl6	2.6714	1.7016	2.9637	2.5623	4.2755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.692	C1	C2	Cl6	122.722
C2	C1	F3	121.692	C2	C1	Cl5	122.722
F3	C1	Cl5	115.586	F4	C2	Cl6	115.586

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

using model chemistry: MP2/6-31G(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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