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	hartrees
Energy at 0K	-1194.485263
Energy at 298.15K	-1194.485861
HF Energy	-1193.564038
Nuclear repulsion energy	349.083065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1781	1692	0.00
2	A_g	1234	1173	0.00
3	A_g	645	613	0.00
4	A_g	435	413	0.00
5	A_g	294	280	0.00
6	A_u	379	360	0.92
7	A_u	138	131	0.21
8	B_g	552	524	0.00
9	B_u	1258	1196	303.37
10	B_u	907	862	179.68
11	B_u	431	410	3.00
12	B_u	178	169	2.33

Atom	x (Å)	y (Å)
C1	-0.067	0.670
C2	0.067	-0.670
F3	-1.266	1.250
F4	1.266	-1.250
Cl5	1.266	1.743
Cl6	-1.266	-1.743

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3459	1.3319	2.3369	1.7114	2.6944
C2	1.3459		2.3369	1.3319	2.6944	1.7114
F3	1.3319	2.3369		3.5579	2.5792	2.9933
F4	2.3369	1.3319	3.5579		2.9933	2.5792
Cl5	1.7114	2.6944	2.5792	2.9933		4.3088
Cl6	2.6944	1.7114	2.9933	2.5792	4.3088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.536	C1	C2	Cl6	123.150
C2	C1	F3	121.536	C2	C1	Cl5	123.150
F3	C1	Cl5	115.314	F4	C2	Cl6	115.314

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

using model chemistry: MP2=FULL/cc-pVDZ

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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