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	hartrees
Energy at 0K	-1195.776653
Energy at 298.15K	-1195.777224
HF Energy	-1195.776653
Nuclear repulsion energy	350.334225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1802	1734	0.00
2	A_g	1202	1156	0.00
3	A_g	647	622	0.00
4	A_g	430	414	0.00
5	A_g	290	279	0.00
6	A_u	370	356	0.53
7	A_u	136	131	0.25
8	B_g	558	537	0.00
9	B_u	1233	1187	295.98
10	B_u	903	869	183.39
11	B_u	427	411	2.81
12	B_u	173	166	1.94

Atom	x (Å)	y (Å)
C1	-0.062	0.664
C2	0.062	-0.664
F3	-1.257	1.246
F4	1.257	-1.246
Cl5	1.257	1.745
Cl6	-1.257	-1.745

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3339	1.3287	2.3210	1.7057	2.6892
C2	1.3339		2.3210	1.3287	2.6892	1.7057
F3	1.3287	2.3210		3.5392	2.5632	2.9906
F4	2.3210	1.3287	3.5392		2.9906	2.5632
Cl5	1.7057	2.6892	2.5632	2.9906		4.3014
Cl6	2.6892	1.7057	2.9906	2.5632	4.3014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.311	C1	C2	Cl6	123.972
C2	C1	F3	121.311	C2	C1	Cl5	123.972
F3	C1	Cl5	114.717	F4	C2	Cl6	114.717

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

using model chemistry: HSEh1PBE/aug-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	0.468
2	C	0.468
3	F	-0.414
4	F	-0.414
5	Cl	-0.054
6	Cl	-0.054

	x	y	z
x	8.491	2.070	0.000
y	2.070	10.720	0.000
z	0.000	0.000	5.485

<r²>	247.488
(<r²>)^1/2	15.732