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	hartrees
Energy at 0K	-1195.797343
Energy at 298.15K
HF Energy	-1195.420147
Nuclear repulsion energy	351.415081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1787	1787	0.00
2	A_g	1224	1224	0.00
3	A_g	651	651	0.00
4	A_g	432	432	0.00
5	A_g	292	292	0.00
6	A_u	377	377	1.16
7	A_u	138	138	0.04
8	B_g	565	565	0.00
9	B_u	1276	1276	264.10
10	B_u	890	890	177.29
11	B_u	429	429	2.14
12	B_u	177	177	2.27

Atom	x (Å)	y (Å)
C1	-0.071	0.662
C2	0.071	-0.662
F3	-1.257	1.234
F4	1.257	-1.234
Cl5	1.257	1.738
Cl6	-1.257	-1.738

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3311	1.3167	2.3143	1.7086	2.6765
C2	1.3311		2.3143	1.3167	2.6765	1.7086
F3	1.3167	2.3143		3.5225	2.5631	2.9718
F4	2.3143	1.3167	3.5225		2.9718	2.5631
Cl5	1.7086	2.6765	2.5631	2.9718		4.2889
Cl6	2.6765	1.7086	2.9718	2.5631	4.2889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.863	C1	C2	Cl6	122.932
C2	C1	F3	121.863	C2	C1	Cl5	122.932
F3	C1	Cl5	115.205	F4	C2	Cl6	115.205

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

using model chemistry: B2PLYP=FULLultrafine/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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