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	hartrees
Energy at 0K	-1196.056804
Energy at 298.15K	-1196.057201
HF Energy	-1196.056804
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1811	1811	0.00
2	A_g	1143	1143	0.00
3	A_g	610	610	0.00
4	A_g	407	407	0.00
5	A_g	277	277	0.00
6	A_u	355	355	1.86
7	A_u	130	130	0.35
8	B_g	561	561	0.00
9	B_u	1174	1174	276.79
10	B_u	843	843	154.41
11	B_u	401	401	3.87
12	B_u	170	170	3.19

Atom	x (Å)	y (Å)
C1	-0.064	0.664
C2	0.064	-0.664
F3	-1.294	1.266
F4	1.294	-1.266
Cl5	1.294	1.795
Cl6	-1.294	-1.795

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3339	1.3691	2.3590	1.7668	2.7493
C2	1.3339		2.3590	1.3691	2.7493	1.7668
F3	1.3691	2.3590		3.6192	2.6407	3.0605
F4	2.3590	1.3691	3.6192		3.0605	2.6407
Cl5	1.7668	2.7493	2.6407	3.0605		4.4250
Cl6	2.7493	1.7668	3.0605	2.6407	4.4250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.551	C1	C2	Cl6	124.324
C2	C1	F3	121.551	C2	C1	Cl5	124.324
F3	C1	Cl5	114.125	F4	C2	Cl6	114.125

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

using model chemistry: wB97X-D/SDD

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	0.095
2	C	0.095
3	F	-0.164
4	F	-0.164
5	Cl	0.069
6	Cl	0.069

	x	y	z
x	6.403	2.169	0.000
y	2.169	7.963	0.000
z	0.000	0.000	2.189

<r²>	260.112
(<r²>)^1/2	16.128