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	hartrees
Energy at 0K	-1195.713660
Energy at 298.15K	-1195.714270
HF Energy	-1195.713660
Nuclear repulsion energy	352.478128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1807	1731	0.00
2	A_g	1240	1187	0.00
3	A_g	659	631	0.00
4	A_g	435	417	0.00
5	A_g	293	281	0.00
6	A_u	381	365	0.89
7	A_u	138	132	0.05
8	B_g	573	549	0.00
9	B_u	1295	1240	276.28
10	B_u	900	862	183.64
11	B_u	432	414	1.99
12	B_u	176	169	2.12

Atom	x (Å)	y (Å)
C1	-0.071	0.661
C2	0.071	-0.661
F3	-1.252	1.232
F4	1.252	-1.232
Cl5	1.252	1.732
Cl6	-1.252	-1.732

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3303	1.3117	2.3099	1.7026	2.6693
C2	1.3303		2.3099	1.3117	2.6693	1.7026
F3	1.3117	2.3099		3.5132	2.5541	2.9642
F4	2.3099	1.3117	3.5132		2.9642	2.5541
Cl5	1.7026	2.6693	2.5541	2.9642		4.2752
Cl6	2.6693	1.7026	2.9642	2.5541	4.2752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.927	C1	C2	Cl6	122.836
C2	C1	F3	121.927	C2	C1	Cl5	122.836
F3	C1	Cl5	115.238	F4	C2	Cl6	115.238

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	0.127
2	C	0.127
3	F	-0.055
4	F	-0.055
5	Cl	-0.072
6	Cl	-0.072

	x	y	z
x	7.342	2.156	0.000
y	2.156	9.495	0.000
z	0.000	0.000	4.103

<r²>	244.154
(<r²>)^1/2	15.625