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	hartrees
Energy at 0K	-1194.398016
Energy at 298.15K	-1194.398593
HF Energy	-1193.505226
Nuclear repulsion energy	350.158101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1792	1674	0.00
2	A_g	1249	1167	0.00
3	A_g	649	606	0.00
4	A_g	437	408	0.00
5	A_g	297	277	0.00
6	A_u	371	347	1.72
7	A_u	138	129	0.18
8	B_g	533	498	0.00
9	B_u	1267	1184	273.52
10	B_u	922	861	171.91
11	B_u	435	406	3.31
12	B_u	180	169	2.51

Atom	x (Å)	y (Å)
C1	-0.058	0.666
C2	0.058	-0.666
F3	-1.263	1.246
F4	1.263	-1.246
Cl5	1.263	1.736
Cl6	-1.263	-1.736

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3369	1.3377	2.3243	1.7001	2.6871
C2	1.3369		2.3243	1.3377	2.6871	1.7001
F3	1.3377	2.3243		3.5491	2.5734	2.9821
F4	2.3243	1.3377	3.5491		2.9821	2.5734
Cl5	1.7001	2.6871	2.5734	2.9821		4.2935
Cl6	2.6871	1.7001	2.9821	2.5734	4.2935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.695	C1	C2	Cl6	124.018
C2	C1	F3	120.695	C2	C1	Cl5	124.018
F3	C1	Cl5	115.287	F4	C2	Cl6	115.287

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

using model chemistry: MP2=FULL/6-31G**

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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