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	hartrees
Energy at 0K	-1190.230255
Energy at 298.15K	-1190.230465
HF Energy	-1190.230255
Nuclear repulsion energy	337.539945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1746	1736	0.00
2	A_g	1103	1097	0.00
3	A_g	589	586	0.00
4	A_g	366	364	0.00
5	A_g	260	258	0.00
6	A_u	344	342	0.50
7	A_u	125	124	0.02
8	B_g	529	526	0.00
9	B_u	1228	1221	200.13
10	B_u	730	726	186.48
11	B_u	369	367	0.15
12	B_u	160	160	4.05

Atom	x (Å)	y (Å)
C1	-0.109	0.657
C2	0.109	-0.657
F3	-1.331	1.246
F4	1.331	-1.246
Cl5	1.331	1.794
Cl6	-1.331	-1.794

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3312	1.3561	2.3863	1.8349	2.7375
C2	1.3312		2.3863	1.3561	2.7375	1.8349
F3	1.3561	2.3863		3.6462	2.7170	3.0397
F4	2.3863	1.3561	3.6462		3.0397	2.7170
Cl5	1.8349	2.7375	2.7170	3.0397		4.4664
Cl6	2.7375	1.8349	3.0397	2.7170	4.4664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.245	C1	C2	Cl6	118.823
C2	C1	F3	125.245	C2	C1	Cl5	118.823
F3	C1	Cl5	115.932	F4	C2	Cl6	115.932

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

using model chemistry: BLYP/3-21G

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	0.058
2	C	0.058
3	F	-0.178
4	F	-0.178
5	Cl	0.120
6	Cl	0.120

	x	y	z
x	7.047	2.746	0.000
y	2.746	8.394	0.000
z	0.000	0.000	1.850

<r²>	263.787
(<r²>)^1/2	16.242