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	hartrees
Energy at 0K	-1194.431237
Energy at 298.15K	-1194.432018
HF Energy	-1193.627269
Nuclear repulsion energy	353.134868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1910	1775	0.00
2	A_g	1304	1212	0.00
3	A_g	683	635	0.00
4	A_g	456	423	0.00
5	A_g	309	287	0.00
6	A_u	404	375	2.08
7	A_u	146	136	0.31
8	B_g	626	582	0.00
9	B_u	1326	1232	349.01
10	B_u	949	881	193.95
11	B_u	454	421	4.07
12	B_u	190	176	2.88

Atom	x (Å)	y (Å)
C1	-0.065	0.655
C2	0.065	-0.655
F3	-1.247	1.227
F4	1.247	-1.227
Cl5	1.247	1.736
Cl6	-1.247	-1.736

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3174	1.3129	2.2949	1.6999	2.6680
C2	1.3174		2.2949	1.3129	2.6680	1.6999
F3	1.3129	2.2949		3.4992	2.5452	2.9638
F4	2.2949	1.3129	3.4992		2.9638	2.5452
Cl5	1.6999	2.6680	2.5452	2.9638		4.2755
Cl6	2.6680	1.6999	2.9638	2.5452	4.2755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.491	C1	C2	Cl6	123.815
C2	C1	F3	121.491	C2	C1	Cl5	123.815
F3	C1	Cl5	114.693	F4	C2	Cl6	114.693

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

using model chemistry: CID/6-311G*

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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