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	hartrees
Energy at 0K	-1195.866624
Energy at 298.15K	-1195.867163
HF Energy	-1195.551731
Nuclear repulsion energy	349.263330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1766	1686	0.00
2	A_g	1191	1137	0.00
3	A_g	642	613	0.00
4	A_g	427	408	0.00
5	A_g	293	280	0.00
6	A_u	360	343	0.57
7	A_u	133	127	0.39
8	B_g	540	515	0.00
9	B_u	1224	1168	327.16
10	B_u	879	838	190.65
11	B_u	429	410	2.76
12	B_u	180	172	2.24

Atom	x (Å)	y (Å)
C1	-0.064	0.662
C2	0.064	-0.662
F3	-1.262	1.239
F4	1.262	-1.239
Cl5	1.262	1.755
Cl6	-1.262	-1.755

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3294	1.3294	2.3171	1.7187	2.6972
C2	1.3294		2.3171	1.3294	2.6972	1.7187
F3	1.3294	2.3171		3.5364	2.5759	2.9938
F4	2.3171	1.3294	3.5364		2.9938	2.5759
Cl5	1.7187	2.6972	2.5759	2.9938		4.3233
Cl6	2.6972	1.7187	2.9938	2.5759	4.3233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.266	C1	C2	Cl6	123.977
C2	C1	F3	121.266	C2	C1	Cl5	123.977
F3	C1	Cl5	114.757	F4	C2	Cl6	114.757

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

using model chemistry: B2PLYP/TZVP

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	0.143
2	C	0.143
3	F	-0.142
4	F	-0.142
5	Cl	-0.001
6	Cl	-0.001

	x	y	z
x	7.200	2.085	0.000
y	2.085	8.971	0.000
z	0.000	0.000	3.894

<r²>	249.217
(<r²>)^1/2	15.787