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	hartrees
Energy at 0K	-1196.306523
Energy at 298.15K	-1196.307121
HF Energy	-1196.306523
Nuclear repulsion energy	351.587941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1803	1721	0.00
2	A_g	1220	1164	0.00
3	A_g	654	624	0.00
4	A_g	434	414	0.00
5	A_g	295	282	0.00
6	A_u	375	358	0.62
7	A_u	137	131	0.29
8	B_g	571	545	0.00
9	B_u	1258	1200	345.92
10	B_u	897	856	209.54
11	B_u	435	416	2.34
12	B_u	178	170	2.53

Atom	x (Å)	y (Å)
C1	-0.066	0.661
C2	0.066	-0.661
F3	-1.254	1.238
F4	1.254	-1.238
Cl5	1.254	1.739
Cl6	-1.254	-1.739

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3281	1.3202	2.3121	1.7042	2.6772
C2	1.3281		2.3121	1.3202	2.6772	1.7042
F3	1.3202	2.3121		3.5234	2.5570	2.9763
F4	2.3121	1.3202	3.5234		2.9763	2.5570
Cl5	1.7042	2.6772	2.5570	2.9763		4.2872
Cl6	2.6772	1.7042	2.9763	2.5570	4.2872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.638	C1	C2	Cl6	123.511
C2	C1	F3	121.638	C2	C1	Cl5	123.511
F3	C1	Cl5	114.851	F4	C2	Cl6	114.851

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

using model chemistry: mPW1PW91/6-311G*

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	0.142
2	C	0.142
3	F	-0.163
4	F	-0.163
5	Cl	0.021
6	Cl	0.021

	x	y	z
x	6.864	2.442	0.000
y	2.442	8.755	0.000
z	0.000	0.000	2.916

<r²>	245.993
(<r²>)^1/2	15.684