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	hartrees
Energy at 0K	-1195.686163
Energy at 298.15K	-1195.686729
HF Energy	-1195.686163
Nuclear repulsion energy	351.021250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1816	1727	0.00
2	A_g	1246	1185	0.00
3	A_g	656	624	0.00
4	A_g	433	412	0.00
5	A_g	294	280	0.00
6	A_u	374	356	1.11
7	A_u	138	131	0.10
8	B_g	554	527	0.00
9	B_u	1287	1224	304.09
10	B_u	904	859	195.31
11	B_u	432	411	2.07
12	B_u	178	169	2.32

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	1.740
Cl6	-1.257	-1.740

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3321	1.3228	2.3162	1.7061	2.6814
C2	1.3321		2.3162	1.3228	2.6814	1.7061
F3	1.3228	2.3162		3.5292	2.5640	2.9777
F4	2.3162	1.3228	3.5292		2.9777	2.5640
Cl5	1.7061	2.6814	2.5640	2.9777		4.2926
Cl6	2.6814	1.7061	2.9777	2.5640	4.2926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.483	C1	C2	Cl6	123.438
C2	C1	F3	121.483	C2	C1	Cl5	123.438
F3	C1	Cl5	115.079	F4	C2	Cl6	115.079

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

using model chemistry: HSEh1PBE/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	0.149
2	C	0.149
3	F	-0.224
4	F	-0.224
5	Cl	0.074
6	Cl	0.074

	x	y	z
x	6.674	2.180	0.000
y	2.180	8.669	0.000
z	0.000	0.000	3.070

<r²>	246.088
(<r²>)^1/2	15.687