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	hartrees
Energy at 0K	-1194.669362
Energy at 298.15K	-1194.669994
HF Energy	-1193.536838
Nuclear repulsion energy	351.552463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1833	1733	0.00
2	A_g	1265	1196	0.00
3	A_g	659	623	0.00
4	A_g	438	414	0.00
5	A_g	295	279	0.00
6	A_u	384	363	1.76
7	A_u	140	132	0.05
8	B_g	573	542	0.00
9	B_u	1305	1234	257.00
10	B_u	912	863	160.05
11	B_u	434	410	3.05
12	B_u	178	169	2.31

Atom	x (Å)	y (Å)
C1	-0.070	0.661
C2	0.070	-0.661
F3	-1.255	1.231
F4	1.255	-1.231
Cl5	1.255	1.740
Cl6	-1.255	-1.740

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3287	1.3158	2.3100	1.7089	2.6771
C2	1.3287		2.3100	1.3158	2.6771	1.7089
F3	1.3158	2.3100		3.5171	2.5616	2.9711
F4	2.3100	1.3158	3.5171		2.9711	2.5616
Cl5	1.7089	2.6771	2.5616	2.9711		4.2906
Cl6	2.6771	1.7089	2.9711	2.5616	4.2906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.738	C1	C2	Cl6	123.124
C2	C1	F3	121.738	C2	C1	Cl5	123.124
F3	C1	Cl5	115.138	F4	C2	Cl6	115.138

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

using model chemistry: CCSD/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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