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	hartrees
Energy at 0K	-1193.627560
Energy at 298.15K	-1193.628442
HF Energy	-1193.627560
Nuclear repulsion energy	353.651927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1973	1792	0.00
2	A_g	1332	1210	0.00
3	A_g	699	635	0.00
4	A_g	465	422	0.00
5	A_g	315	286	0.00
6	A_u	421	383	3.26
7	A_u	152	138	0.25
8	B_g	664	603	0.00
9	B_u	1353	1229	394.80
10	B_u	956	868	216.70
11	B_u	463	421	4.06
12	B_u	194	176	3.19

Atom	x (Å)	y (Å)
C1	-0.067	0.650
C2	0.067	-0.650
F3	-1.241	1.219
F4	1.241	-1.219
Cl5	1.241	1.745
Cl6	-1.241	-1.745

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3078	1.3048	2.2818	1.7056	2.6676
C2	1.3078		2.2818	1.3048	2.6676	1.7056
F3	1.3048	2.2818		3.4797	2.5375	2.9639
F4	2.2818	1.3048	3.4797		2.9639	2.5375
Cl5	1.7056	2.6676	2.5375	2.9639		4.2825
Cl6	2.6676	1.7056	2.9639	2.5375	4.2825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.717	C1	C2	Cl6	124.037
C2	C1	F3	121.717	C2	C1	Cl5	124.037
F3	C1	Cl5	114.246	F4	C2	Cl6	114.246

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

using model chemistry: HF/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	0.245
2	C	0.245
3	F	-0.238
4	F	-0.238
5	Cl	-0.007
6	Cl	-0.007

	x	y	z
x	6.203	2.258	0.000
y	2.258	8.324	0.000
z	0.000	0.000	2.811

<r²>	244.623
(<r²>)^1/2	15.640