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	hartrees
Energy at 0K	-88.903972
Energy at 298.15K	-88.904404
HF Energy	-88.017650
Nuclear repulsion energy	119.520648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1732	1650	0.00
2	A_g	1213	1156	0.00
3	A_g	635	605	0.00
4	A_g	427	407	0.00
5	A_g	288	274	0.00
6	A_u	349	333	0.61
7	A_u	131	125	0.37
8	B_g	465	443	0.00
9	B_u	1229	1171	317.13
10	B_u	910	867	181.22
11	B_u	421	401	4.32
12	B_u	173	165	2.28

Atom	x (Å)	y (Å)
C1	-0.058	0.673
C2	0.058	-0.673
F3	-1.271	1.258
F4	1.271	-1.258
Cl5	1.271	1.759
Cl6	-1.271	-1.759

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3507	1.3469	2.3440	1.7160	2.7172
C2	1.3507		2.3440	1.3469	2.7172	1.7160
F3	1.3469	2.3440		3.5767	2.5908	3.0166
F4	2.3440	1.3469	3.5767		3.0166	2.5908
Cl5	1.7160	2.7172	2.5908	3.0166		4.3396
Cl6	2.7172	1.7160	3.0166	2.5908	4.3396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.674	C1	C2	Cl6	124.327
C2	C1	F3	120.674	C2	C1	Cl5	124.327
F3	C1	Cl5	114.999	F4	C2	Cl6	114.999

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

using model chemistry: MP2/CEP-121G*

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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