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	hartrees
Energy at 0K	-1196.112993
Energy at 298.15K	-1196.113586
HF Energy	-1196.112993
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1831	1831	0.00
2	A_g	1249	1249	0.00
3	A_g	655	655	0.00
4	A_g	432	432	0.00
5	A_g	295	295	0.00
6	A_u	378	378	1.58
7	A_u	139	139	0.07
8	B_g	563	563	0.00
9	B_u	1284	1284	309.38
10	B_u	897	897	195.14
11	B_u	432	432	1.92
12	B_u	178	178	2.38

Atom	x (Å)	y (Å)
C1	-0.067	0.662
C2	0.067	-0.662
F3	-1.258	1.236
F4	1.258	-1.236
Cl5	1.258	1.747
Cl6	-1.258	-1.747

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3301	1.3225	2.3151	1.7132	2.6870
C2	1.3301		2.3151	1.3225	2.6870	1.7132
F3	1.3225	2.3151		3.5282	2.5679	2.9834
F4	2.3151	1.3225	3.5282		2.9834	2.5679
Cl5	1.7132	2.6870	2.5679	2.9834		4.3059
Cl6	2.6870	1.7132	2.9834	2.5679	4.3059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.567	C1	C2	Cl6	123.506
C2	C1	F3	121.567	C2	C1	Cl5	123.506
F3	C1	Cl5	114.927	F4	C2	Cl6	114.927

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

using model chemistry: wB97X-D/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	0.165
2	C	0.165
3	F	-0.228
4	F	-0.228
5	Cl	0.063
6	Cl	0.063

	x	y	z
x	6.615	2.153	0.000
y	2.153	8.647	0.000
z	0.000	0.000	3.058

<r²>	247.052
(<r²>)^1/2	15.718