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	hartrees
Energy at 0K	-1189.772447
Energy at 298.15K	-1189.772916
HF Energy	-1189.772447
Nuclear repulsion energy	343.738501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1854	1786	0.00
2	A_g	1197	1153	0.00
3	A_g	625	602	0.00
4	A_g	401	387	0.00
5	A_g	276	266	0.00
6	A_u	372	358	1.42
7	A_u	136	131	0.01
8	B_g	607	585	0.00
9	B_u	1300	1252	213.80
10	B_u	809	779	176.73
11	B_u	393	379	0.63
12	B_u	168	162	4.30

Atom	x (Å)	y (Å)
C1	-0.096	0.651
C2	0.096	-0.651
F3	-1.304	1.234
F4	1.304	-1.234
Cl5	1.304	1.758
Cl6	-1.304	-1.758

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3164	1.3415	2.3489	1.7855	2.6953
C2	1.3164		2.3489	1.3415	2.6953	1.7855
F3	1.3415	2.3489		3.5918	2.6610	2.9926
F4	2.3489	1.3415	3.5918		2.9926	2.6610
Cl5	1.7855	2.6953	2.6610	2.9926		4.3786
Cl6	2.6953	1.7855	2.9926	2.6610	4.3786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	124.184	C1	C2	Cl6	119.907
C2	C1	F3	124.184	C2	C1	Cl5	119.907
F3	C1	Cl5	115.910	F4	C2	Cl6	115.910

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	0.048
2	C	0.048
3	F	-0.224
4	F	-0.224
5	Cl	0.176
6	Cl	0.176

	x	y	z
x	6.478	2.481	0.000
y	2.481	7.886	0.000
z	0.000	0.000	1.825

<r²>	255.402
(<r²>)^1/2	15.981