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	hartrees
Energy at 0K	-1194.639786
Energy at 298.15K	-1194.640353
HF Energy	-1193.658995
Nuclear repulsion energy	349.484074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1809	1727	0.00
2	A_g	1236	1180	0.00
3	A_g	650	621	0.00
4	A_g	433	413	0.00
5	A_g	296	282	0.00
6	A_u	361	345	1.20
7	A_u	134	128	0.36
8	B_g	531	507	0.00
9	B_u	1260	1202	304.68
10	B_u	900	859	165.10
11	B_u	433	414	4.18
12	B_u	181	173	2.35

Atom	x (Å)	y (Å)
C1	-0.063	0.661
C2	0.063	-0.661
F3	-1.260	1.235
F4	1.260	-1.235
Cl5	1.260	1.757
Cl6	-1.260	-1.757

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3279	1.3276	2.3123	1.7184	2.6980
C2	1.3279		2.3123	1.3276	2.6980	1.7184
F3	1.3276	2.3123		3.5292	2.5739	2.9922
F4	2.3123	1.3276	3.5292		2.9922	2.5739
Cl5	1.7184	2.6980	2.5739	2.9922		4.3244
Cl6	2.6980	1.7184	2.9922	2.5739	4.3244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.093	C1	C2	Cl6	124.167
C2	C1	F3	121.093	C2	C1	Cl5	124.167
F3	C1	Cl5	114.740	F4	C2	Cl6	114.740

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

using model chemistry: CCSD/TZVP

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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