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	hartrees
Energy at 0K	-1194.362743
Energy at 298.15K	-1194.363304
HF Energy	-1193.504929
Nuclear repulsion energy	349.756018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1789	1675	0.00
2	A_g	1246	1167	0.00
3	A_g	648	606	0.00
4	A_g	436	408	0.00
5	A_g	296	277	0.00
6	A_u	369	345	1.75
7	A_u	137	128	0.18
8	B_g	523	490	0.00
9	B_u	1264	1183	273.29
10	B_u	920	862	172.04
11	B_u	434	406	3.35
12	B_u	180	169	2.50

Atom	x (Å)	y (Å)
C1	-0.058	0.667
C2	0.058	-0.667
F3	-1.265	1.247
F4	1.265	-1.247
Cl5	1.265	1.738
Cl6	-1.265	-1.738

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3382	1.3396	2.3263	1.7017	2.6906
C2	1.3382		2.3263	1.3396	2.6906	1.7017
F3	1.3396	2.3263		3.5527	2.5765	2.9853
F4	2.3263	1.3396	3.5527		2.9853	2.5765
Cl5	1.7017	2.6906	2.5765	2.9853		4.2988
Cl6	2.6906	1.7017	2.9853	2.5765	4.2988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.625	C1	C2	Cl6	124.082
C2	C1	F3	120.625	C2	C1	Cl5	124.082
F3	C1	Cl5	115.293	F4	C2	Cl6	115.293

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

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

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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