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	hartrees
Energy at 0K	-1195.555194
Energy at 298.15K	-1195.555580
HF Energy	-1195.555194
Nuclear repulsion energy	347.546303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1725	1696	0.00
2	A_g	1177	1157	0.00
3	A_g	626	615	0.00
4	A_g	412	405	0.00
5	A_g	283	278	0.00
6	A_u	351	345	0.40
7	A_u	129	127	0.06
8	B_g	497	489	0.00
9	B_u	1228	1208	285.73
10	B_u	853	839	197.38
11	B_u	414	407	1.25
12	B_u	171	168	2.11

Atom	x (Å)	y (Å)
C1	-0.069	0.670
C2	0.069	-0.670
F3	-1.271	1.252
F4	1.271	-1.252
Cl5	1.271	1.754
Cl6	-1.271	-1.754

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3469	1.3359	2.3425	1.7232	2.7057
C2	1.3469		2.3425	1.3359	2.7057	1.7232
F3	1.3359	2.3425		3.5679	2.5914	3.0055
F4	2.3425	1.3359	3.5679		3.0055	2.5914
Cl5	1.7232	2.7057	2.5914	3.0055		4.3321
Cl6	2.7057	1.7232	3.0055	2.5914	4.3321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.653	C1	C2	Cl6	123.138
C2	C1	F3	121.653	C2	C1	Cl5	123.138
F3	C1	Cl5	115.209	F4	C2	Cl6	115.209

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

using model chemistry: PBEPBEultrafine/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	0.121
2	C	0.121
3	F	-0.189
4	F	-0.189
5	Cl	0.068
6	Cl	0.068

	x	y	z
x	7.083	2.324	0.000
y	2.324	9.018	0.000
z	0.000	0.000	3.110

<r²>	250.272
(<r²>)^1/2	15.820