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	hartrees
Energy at 0K	-1195.627307
Energy at 298.15K	-1195.627876
HF Energy	-1195.627307
Nuclear repulsion energy	351.129368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1819	1729	0.00
2	A_g	1251	1189	0.00
3	A_g	657	625	0.00
4	A_g	434	413	0.00
5	A_g	294	280	0.00
6	A_u	375	356	1.09
7	A_u	138	131	0.09
8	B_g	555	527	0.00
9	B_u	1292	1228	303.92
10	B_u	906	861	194.91
11	B_u	432	411	2.08
12	B_u	177	168	2.31

Atom	x (Å)	y (Å)
C1	-0.066	0.663
C2	0.066	-0.663
F3	-1.257	1.238
F4	1.257	-1.238
Cl5	1.257	1.739
Cl6	-1.257	-1.739

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3323	1.3219	2.3157	1.7056	2.6810
C2	1.3323		2.3157	1.3219	2.6810	1.7056
F3	1.3219	2.3157		3.5277	2.5627	2.9773
F4	2.3157	1.3219	3.5277		2.9773	2.5627
Cl5	1.7056	2.6810	2.5627	2.9773		4.2917
Cl6	2.6810	1.7056	2.9773	2.5627	4.2917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.488	C1	C2	Cl6	123.435
C2	C1	F3	121.488	C2	C1	Cl5	123.435
F3	C1	Cl5	115.077	F4	C2	Cl6	115.077

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

using model chemistry: PBE1PBE/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	0.148
2	C	0.148
3	F	-0.224
4	F	-0.224
5	Cl	0.076
6	Cl	0.076

	x	y	z
x	6.660	2.174	0.000
y	2.174	8.660	0.000
z	0.000	0.000	3.071

<r²>	245.982
(<r²>)^1/2	15.684