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	hartrees
Energy at 0K	-1195.749603
Energy at 298.15K	-1195.750205
HF Energy	-1195.749603
Nuclear repulsion energy	350.699147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1818	1748	0.00
2	A_g	1233	1186	0.00
3	A_g	653	628	0.00
4	A_g	433	416	0.00
5	A_g	293	281	0.00
6	A_u	380	365	0.53
7	A_u	138	132	0.18
8	B_g	568	547	0.00
9	B_u	1270	1221	330.07
10	B_u	898	864	197.80
11	B_u	430	414	2.08
12	B_u	175	168	2.20

Atom	x (Å)	y (Å)
C1	-0.069	0.663
C2	0.069	-0.663
F3	-1.258	1.241
F4	1.258	-1.241
Cl5	1.258	1.740
Cl6	-1.258	-1.740

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3339	1.3227	2.3213	1.7088	2.6818
C2	1.3339		2.3213	1.3227	2.6818	1.7088
F3	1.3227	2.3213		3.5350	2.5659	2.9811
F4	2.3213	1.3227	3.5350		2.9811	2.5659
Cl5	1.7088	2.6818	2.5659	2.9811		4.2947
Cl6	2.6818	1.7088	2.9811	2.5659	4.2947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.803	C1	C2	Cl6	123.145
C2	C1	F3	121.803	C2	C1	Cl5	123.145
F3	C1	Cl5	115.052	F4	C2	Cl6	115.052

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.119
2	C	0.119
3	F	-0.118
4	F	-0.118
5	Cl	-0.001
6	Cl	-0.001

	x	y	z
x	6.669	2.240	0.000
y	2.240	8.529	0.000
z	0.000	0.000	2.916

<r²>	246.475
(<r²>)^1/2	15.700