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	hartrees
Energy at 0K	-1182.350327
Energy at 298.15K	-1182.350417
HF Energy	-1182.350327
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1859	1859	0.00
2	A_g	1308	1308	0.00
3	A_g	655	655	0.00
4	A_g	412	412	0.00
5	A_g	268	268	0.00
6	A_u	362	362	2.34
7	A_u	135	135	1.36
8	B_g	477	477	0.00
9	B_u	1386	1386	140.37
10	B_u	883	883	138.34
11	B_u	405	405	2.25
12	B_u	159	159	2.95

Atom	x (Å)	y (Å)
C1	-0.105	0.672
C2	0.105	-0.672
F3	-1.318	1.268
F4	1.318	-1.268
Cl5	1.318	1.790
Cl6	-1.318	-1.790

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3607	1.3512	2.4059	1.8094	2.7449
C2	1.3607		2.4059	1.3512	2.7449	1.8094
F3	1.3512	2.4059		3.6573	2.6866	3.0582
F4	2.4059	1.3512	3.6573		3.0582	2.6866
Cl5	1.8094	2.7449	2.6866	3.0582		4.4458
Cl6	2.7449	1.8094	3.0582	2.6866	4.4458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.039	C1	C2	Cl6	119.289
C2	C1	F3	125.039	C2	C1	Cl5	119.289
F3	C1	Cl5	115.672	F4	C2	Cl6	115.672

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

using model chemistry: wB97X-D/STO-3G

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	0.111
2	C	0.111
3	F	-0.014
4	F	-0.014
5	Cl	-0.097
6	Cl	-0.097

	x	y	z
x	4.423	1.626	0.000
y	1.626	5.589	0.000
z	0.000	0.000	0.518

<r²>	260.729
(<r²>)^1/2	16.147