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	hartrees
Energy at 0K	-1196.299913
Energy at 298.15K	-1196.300538
HF Energy	-1196.299913
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1809	1729	0.00
2	A_g	1224	1170	0.00
3	A_g	654	626	0.00
4	A_g	433	414	0.00
5	A_g	294	281	0.00
6	A_u	379	363	0.55
7	A_u	138	132	0.16
8	B_g	584	558	0.00
9	B_u	1258	1203	315.86
10	B_u	890	851	186.55
11	B_u	433	414	2.09
12	B_u	178	170	1.98

Atom	x (Å)	y (Å)
C1	-0.067	0.659
C2	0.067	-0.659
F3	-1.253	1.234
F4	1.253	-1.234
Cl5	1.253	1.743
Cl6	-1.253	-1.743

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3250	1.3184	2.3081	1.7081	2.6794
C2	1.3250		2.3081	1.3184	2.6794	1.7081
F3	1.3184	2.3081		3.5178	2.5573	2.9777
F4	2.3081	1.3184	3.5178		2.9777	2.5573
Cl5	1.7081	2.6794	2.5573	2.9777		4.2939
Cl6	2.6794	1.7081	2.9777	2.5573	4.2939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.653	C1	C2	Cl6	123.616
C2	C1	F3	121.653	C2	C1	Cl5	123.616
F3	C1	Cl5	114.732	F4	C2	Cl6	114.732

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

using model chemistry: wB97X-D/cc-pVTZ

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	0.141
2	C	0.141
3	F	-0.117
4	F	-0.117
5	Cl	-0.024
6	Cl	-0.024

	x	y	z
x	7.517	2.179	0.000
y	2.179	9.565	0.000
z	0.000	0.000	4.133

<r²>	245.905
(<r²>)^1/2	15.681