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	hartrees
Energy at 0K	-1195.835484
Energy at 298.15K	-1195.828532
HF Energy	-1196.224310
Nuclear repulsion energy	348.748721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1785	1714	0.00
2	A_g	1210	1162	0.00
3	A_g	641	616	0.00
4	A_g	423	406	0.00
5	A_g	290	279	0.00
6	A_u	366	351	1.32
7	A_u	134	129	0.07
8	B_g	538	517	0.00
9	B_u	1254	1204	295.54
10	B_u	870	836	195.08
11	B_u	423	406	1.74
12	B_u	177	170	2.37

Atom	x (Å)	y (Å)
C1	-0.067	0.664
C2	0.067	-0.664
F3	-1.265	1.242
F4	1.265	-1.242
Cl5	1.265	1.755
Cl6	-1.265	-1.755

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3342	1.3299	2.3252	1.7219	2.6987
C2	1.3342		2.3252	1.3299	2.6987	1.7219
F3	1.3299	2.3252		3.5456	2.5809	2.9970
F4	2.3252	1.3299	3.5456		2.9970	2.5809
Cl5	1.7219	2.6987	2.5809	2.9970		4.3261
Cl6	2.6987	1.7219	2.9970	2.5809	4.3261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.726	C1	C2	Cl6	123.559
C2	C1	F3	121.726	C2	C1	Cl5	123.559
F3	C1	Cl5	114.715	F4	C2	Cl6	114.715

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

using model chemistry: G3B3

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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Number	Element	Mulliken
1	C	0.170
2	C	0.170
3	F	-0.225
4	F	-0.225
5	Cl	0.055
6	Cl	0.055

<r²>	249.149
(<r²>)^1/2	15.784