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	hartrees
Energy at 0K	-1195.691830
Energy at 298.15K	-1195.692244
HF Energy	-1195.691830
Nuclear repulsion energy	348.035750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1708	1691	0.00
2	A_g	1144	1132	0.00
3	A_g	623	616	0.00
4	A_g	412	408	0.00
5	A_g	283	280	0.00
6	A_u	351	348	0.14
7	A_u	129	127	0.24
8	B_g	516	511	0.00
9	B_u	1189	1177	323.30
10	B_u	848	839	210.70
11	B_u	417	412	1.54
12	B_u	172	170	2.30

Atom	x (Å)	y (Å)
C1	-0.067	0.668
C2	0.067	-0.668
F3	-1.268	1.253
F4	1.268	-1.253
Cl5	1.268	1.752
Cl6	-1.268	-1.752

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3428	1.3361	2.3398	1.7196	2.7015
C2	1.3428		2.3398	1.3361	2.7015	1.7196
F3	1.3361	2.3398		3.5660	2.5846	3.0053
F4	2.3398	1.3361	3.5660		3.0053	2.5846
Cl5	1.7196	2.7015	2.5846	3.0053		4.3252
Cl6	2.7015	1.7196	3.0053	2.5846	4.3252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.721	C1	C2	Cl6	123.335
C2	C1	F3	121.721	C2	C1	Cl5	123.335
F3	C1	Cl5	114.944	F4	C2	Cl6	114.944

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

using model chemistry: PBEPBEultrafine/6-311G*

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	0.107
2	C	0.107
3	F	-0.132
4	F	-0.132
5	Cl	0.025
6	Cl	0.025

	x	y	z
x	7.359	2.627	0.000
y	2.627	9.187	0.000
z	0.000	0.000	2.975

<r²>	250.338
(<r²>)^1/2	15.822