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	hartrees
Energy at 0K	-1195.950814
Energy at 298.15K	-1195.951293
HF Energy	-1195.950814
Nuclear repulsion energy	343.395371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1853	1853	0.00
2	A_g	1216	1216	0.00
3	A_g	627	627	0.00
4	A_g	414	414	0.00
5	A_g	276	276	0.00
6	A_u	361	361	3.84
7	A_u	133	133	0.24
8	B_g	587	587	0.00
9	B_u	1257	1257	220.08
10	B_u	857	857	153.08
11	B_u	407	407	3.95
12	B_u	172	172	3.14

Atom	x (Å)	y (Å)
C1	-0.065	0.658
C2	0.065	-0.658
F3	-1.290	1.248
F4	1.290	-1.248
Cl5	1.290	1.782
Cl6	-1.290	-1.782

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3217	1.3595	2.3379	1.7604	2.7297
C2	1.3217		2.3379	1.3595	2.7297	1.7604
F3	1.3595	2.3379		3.5890	2.6342	3.0296
F4	2.3379	1.3595	3.5890		3.0296	2.6342
Cl5	1.7604	2.7297	2.6342	3.0296		4.3993
Cl6	2.7297	1.7604	3.0296	2.6342	4.3993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.364	C1	C2	Cl6	124.047
C2	C1	F3	121.364	C2	C1	Cl5	124.047
F3	C1	Cl5	114.589	F4	C2	Cl6	114.589

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

using model chemistry: M06-2X/6-31G

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	0.072
2	C	0.072
3	F	-0.277
4	F	-0.277
5	Cl	0.205
6	Cl	0.205

	x	y	z
x	6.551	2.384	0.000
y	2.384	8.198	0.000
z	0.000	0.000	2.211

<r²>	256.891
(<r²>)^1/2	16.028