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	hartrees
Energy at 0K	-1196.310226
Energy at 298.15K	-1196.310804
HF Energy	-1196.310226
Nuclear repulsion energy	351.302046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1825	1754	0.00
2	A_g	1239	1191	0.00
3	A_g	654	629	0.00
4	A_g	432	416	0.00
5	A_g	287	276	0.00
6	A_u	379	365	0.67
7	A_u	138	133	0.20
8	B_g	570	547	0.00
9	B_u	1275	1226	331.84
10	B_u	901	866	197.32
11	B_u	427	411	2.29
12	B_u	164	158	2.27

Atom	x (Å)	y (Å)
C1	-0.068	0.662
C2	0.068	-0.662
F3	-1.257	1.238
F4	1.257	-1.238
Cl5	1.257	1.736
Cl6	-1.257	-1.736

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3314	1.3211	2.3165	1.7055	2.6772
C2	1.3314		2.3165	1.3211	2.6772	1.7055
F3	1.3211	2.3165		3.5286	2.5626	2.9746
F4	2.3165	1.3211	3.5286		2.9746	2.5626
Cl5	1.7055	2.6772	2.5626	2.9746		4.2872
Cl6	2.6772	1.7055	2.9746	2.5626	4.2872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.698	C1	C2	Cl6	123.187
C2	C1	F3	121.698	C2	C1	Cl5	123.187
F3	C1	Cl5	115.116	F4	C2	Cl6	115.116

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

using model chemistry: B1B95/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	-0.120
4	F	-0.120
5	Cl	0.001
6	Cl	0.001

	x	y	z
x	6.640	2.231	0.000
y	2.231	8.488	0.000
z	0.000	0.000	2.912

<r²>	245.603
(<r²>)^1/2	15.672