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	hartrees
Energy at 0K	-89.468907
Energy at 298.15K	-89.469291
HF Energy	-89.468907
Nuclear repulsion energy	118.909193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1774	1713	0.00
2	A_g	1189	1148	0.00
3	A_g	629	607	0.00
4	A_g	415	401	0.00
5	A_g	282	272	0.00
6	A_u	350	338	0.13
7	A_u	129	125	0.42
8	B_g	488	471	0.00
9	B_u	1222	1181	342.56
10	B_u	864	834	203.91
11	B_u	416	402	2.06
12	B_u	172	166	2.09

Atom	x (Å)	y (Å)
C1	-0.065	0.679
C2	0.065	-0.679
F3	-1.275	1.261
F4	1.275	-1.261
Cl5	1.275	1.778
Cl6	-1.275	-1.778

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3633	1.3430	2.3574	1.7336	2.7384
C2	1.3633		2.3574	1.3430	2.7384	1.7336
F3	1.3430	2.3574		3.5865	2.6026	3.0386
F4	2.3574	1.3430	3.5865		3.0386	2.6026
Cl5	1.7336	2.7384	2.6026	3.0386		4.3761
Cl6	2.7384	1.7336	3.0386	2.6026	4.3761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.168	C1	C2	Cl6	123.879
C2	C1	F3	121.168	C2	C1	Cl5	123.879
F3	C1	Cl5	114.953	F4	C2	Cl6	114.953

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

using model chemistry: B3LYP/CEP-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	0.114
2	C	0.114
3	F	-0.077
4	F	-0.077
5	Cl	-0.037
6	Cl	-0.037

	x	y	z
x	7.213	2.461	0.000
y	2.461	9.259	0.000
z	0.000	0.000	3.069

<r²>	143.388
(<r²>)^1/2	11.974