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	hartrees
Energy at 0K	-1196.275085
Energy at 298.15K	-1196.275698
HF Energy	-1196.275085
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1809	1727	0.00
2	A_g	1217	1162	0.00
3	A_g	653	624	0.00
4	A_g	432	413	0.00
5	A_g	296	283	0.00
6	A_u	375	358	0.59
7	A_u	136	130	0.27
8	B_g	578	552	0.00
9	B_u	1249	1193	353.58
10	B_u	887	847	201.61
11	B_u	436	416	2.32
12	B_u	181	172	2.20

Atom	x (Å)	y (Å)
C1	-0.067	0.659
C2	0.067	-0.659
F3	-1.256	1.233
F4	1.256	-1.233
Cl5	1.256	1.753
Cl6	-1.256	-1.753

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3250	1.3202	2.3094	1.7169	2.6888
C2	1.3250		2.3094	1.3202	2.6888	1.7169
F3	1.3202	2.3094		3.5209	2.5653	2.9861
F4	2.3094	1.3202	3.5209		2.9861	2.5653
Cl5	1.7169	2.6888	2.5653	2.9861		4.3126
Cl6	2.6888	1.7169	2.9861	2.5653	4.3126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.634	C1	C2	Cl6	123.724
C2	C1	F3	121.634	C2	C1	Cl5	123.724
F3	C1	Cl5	114.642	F4	C2	Cl6	114.642

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

using model chemistry: wB97X-D/TZVP

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	0.134
2	C	0.134
3	F	-0.130
4	F	-0.130
5	Cl	-0.003
6	Cl	-0.003

	x	y	z
x	7.121	2.081	0.000
y	2.081	9.023	0.000
z	0.000	0.000	3.912

<r²>	247.684
(<r²>)^1/2	15.738