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	hartrees
Energy at 0K	-1196.422656
Energy at 298.15K	-1196.423193
HF Energy	-1196.422656
Nuclear repulsion energy	349.872757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1755	1698	0.00
2	A_g	1170	1132	0.00
3	A_g	638	617	0.00
4	A_g	423	409	0.00
5	A_g	289	279	0.00
6	A_u	364	352	0.67
7	A_u	132	128	0.24
8	B_g	559	540	0.00
9	B_u	1209	1169	295.07
10	B_u	866	837	182.91
11	B_u	425	411	2.17
12	B_u	178	172	2.00

Atom	x (Å)	y (Å)
C1	-0.063	0.661
C2	0.063	-0.661
F3	-1.259	1.242
F4	1.259	-1.242
Cl5	1.259	1.751
Cl6	-1.259	-1.751

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3285	1.3291	2.3171	1.7129	2.6920
C2	1.3285		2.3171	1.3291	2.6920	1.7129
F3	1.3291	2.3171		3.5364	2.5682	2.9926
F4	2.3171	1.3291	3.5364		2.9926	2.5682
Cl5	1.7129	2.6920	2.5682	2.9926		4.3124
Cl6	2.6920	1.7129	2.9926	2.5682	4.3124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.356	C1	C2	Cl6	124.047
C2	C1	F3	121.356	C2	C1	Cl5	124.047
F3	C1	Cl5	114.597	F4	C2	Cl6	114.597

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

using model chemistry: B3LYP/aug-cc-pVTZ

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	0.357
2	C	0.357
3	F	-0.281
4	F	-0.281
5	Cl	-0.076
6	Cl	-0.076

	x	y	z
x	8.769	2.115	0.000
y	2.115	11.075	0.000
z	0.000	0.000	5.737

<r²>	248.309
(<r²>)^1/2	15.758