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	hartrees
Energy at 0K	-1196.018380
Energy at 298.15K	-1196.018928
HF Energy	-1196.018380
Nuclear repulsion energy	350.141153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1797	1722	0.00
2	A_g	1230	1179	0.00
3	A_g	649	622	0.00
4	A_g	429	411	0.00
5	A_g	292	280	0.00
6	A_u	371	355	1.06
7	A_u	136	130	0.09
8	B_g	545	522	0.00
9	B_u	1273	1220	301.44
10	B_u	890	853	196.65
11	B_u	429	411	1.86
12	B_u	177	169	2.28

Atom	x (Å)	y (Å)
C1	-0.066	0.664
C2	0.066	-0.664
F3	-1.260	1.241
F4	1.260	-1.241
Cl5	1.260	1.745
Cl6	-1.260	-1.745

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3344	1.3255	2.3211	1.7111	2.6887
C2	1.3344		2.3211	1.3255	2.6887	1.7111
F3	1.3255	2.3211		3.5367	2.5692	2.9867
F4	2.3211	1.3255	3.5367		2.9867	2.5692
Cl5	1.7111	2.6887	2.5692	2.9867		4.3050
Cl6	2.6887	1.7111	2.9867	2.5692	4.3050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.529	C1	C2	Cl6	123.493
C2	C1	F3	121.529	C2	C1	Cl5	123.493
F3	C1	Cl5	114.978	F4	C2	Cl6	114.978

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

using model chemistry: B3PW91/6-31G**

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	0.151
2	C	0.151
3	F	-0.222
4	F	-0.222
5	Cl	0.071
6	Cl	0.071

	x	y	z
x	6.732	2.209	0.000
y	2.209	8.738	0.000
z	0.000	0.000	3.073

<r²>	247.213
(<r²>)^1/2	15.723