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	hartrees
Energy at 0K	-1196.243490
Energy at 298.15K	-1196.244094
HF Energy	-1196.243490
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1814	1814	0.00
2	A_g	1220	1220	0.00
3	A_g	653	653	0.00
4	A_g	432	432	0.00
5	A_g	295	295	0.00
6	A_u	378	378	0.87
7	A_u	139	139	0.24
8	B_g	580	580	0.00
9	B_u	1252	1252	351.15
10	B_u	890	890	210.13
11	B_u	434	434	2.17
12	B_u	179	179	2.58

Atom	x (Å)	y (Å)
C1	-0.067	0.660
C2	0.067	-0.660
F3	-1.255	1.236
F4	1.255	-1.236
Cl5	1.255	1.745
Cl6	-1.255	-1.745

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3268	1.3206	2.3121	1.7111	2.6829
C2	1.3268		2.3121	1.3206	2.6829	1.7111
F3	1.3206	2.3121		3.5241	2.5620	2.9819
F4	2.3121	1.3206	3.5241		2.9819	2.5620
Cl5	1.7111	2.6829	2.5620	2.9819		4.3001
Cl6	2.6829	1.7111	2.9819	2.5620	4.3001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.701	C1	C2	Cl6	123.552
C2	C1	F3	121.701	C2	C1	Cl5	123.552
F3	C1	Cl5	114.747	F4	C2	Cl6	114.747

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

using model chemistry: wB97X-D/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	0.138
2	C	0.138
3	F	-0.160
4	F	-0.160
5	Cl	0.022
6	Cl	0.022

	x	y	z
x	6.837	2.431	0.000
y	2.431	8.756	0.000
z	0.000	0.000	2.903

<r²>	247.033
(<r²>)^1/2	15.717