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	hartrees
Energy at 0K	-1182.206987
Energy at 298.15K	-1182.206707
HF Energy	-1182.206987
Nuclear repulsion energy	332.467406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1720	1591	0.00
2	A_g	1206	1116	0.00
3	A_g	610	564	0.00
4	A_g	378	350	0.00
5	A_g	246	228	0.00
6	A_u	321	297	0.32
7	A_u	117	109	1.70
8	B_g	359	332	0.00
9	B_u	1330	1231	126.29
10	B_u	795	736	143.67
11	B_u	377	348	1.57
12	B_u	140	130	2.84

Atom	x (Å)	y (Å)
C1	-0.114	0.683
C2	0.114	-0.683
F3	-1.341	1.281
F4	1.341	-1.281
Cl5	1.341	1.828
Cl6	-1.341	-1.828

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3849	1.3649	2.4440	1.8516	2.7947
C2	1.3849		2.4440	1.3649	2.7947	1.8516
F3	1.3649	2.4440		3.7088	2.7376	3.1085
F4	2.4440	1.3649	3.7088		3.1085	2.7376
Cl5	1.8516	2.7947	2.7376	3.1085		4.5343
Cl6	2.7947	1.8516	3.1085	2.7376	4.5343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.440	C1	C2	Cl6	118.718
C2	C1	F3	125.440	C2	C1	Cl5	118.718
F3	C1	Cl5	115.842	F4	C2	Cl6	115.842

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

using model chemistry: BLYP/STO-3G

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	0.085
2	C	0.085
3	F	0.021
4	F	0.021
5	Cl	-0.106
6	Cl	-0.106

	x	y	z
x	4.906	1.852	0.000
y	1.852	6.016	0.000
z	0.000	0.000	0.567

<r²>	269.147
(<r²>)^1/2	16.406