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	hartrees
Energy at 0K	-1188.088663
Energy at 298.15K	-1188.089191
HF Energy	-1187.624108
Nuclear repulsion energy	341.789219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1903	1791	0.00
2	A_g	1232	1159	0.00
3	A_g	632	595	0.00
4	A_g	404	381	0.00
5	A_g	277	261	0.00
6	A_u	384	361	5.14
7	A_u	142	134	0.04
8	B_g	630	593	0.00
9	B_u	1303	1226	190.08
10	B_u	821	772	140.82
11	B_u	397	373	2.56
12	B_u	171	161	4.47

Atom	x (Å)	y (Å)
C1	-0.088	0.649
C2	0.088	-0.649
F3	-1.307	1.233
F4	1.307	-1.233
Cl5	1.307	1.784
Cl6	-1.307	-1.784

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3104	1.3507	2.3427	1.7981	2.7207
C2	1.3104		2.3427	1.3507	2.7207	1.7981
F3	1.3507	2.3427		3.5929	2.6707	3.0164
F4	2.3427	1.3507	3.5929		3.0164	2.6707
Cl5	1.7981	2.7207	2.6707	3.0164		4.4219
Cl6	2.7207	1.7981	3.0164	2.6707	4.4219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.363	C1	C2	Cl6	121.352
C2	C1	F3	123.363	C2	C1	Cl5	121.352
F3	C1	Cl5	115.285	F4	C2	Cl6	115.285

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

using model chemistry: CISD/3-21G

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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