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	hartrees
Energy at 0K	-1196.360090
Energy at 298.15K	-1196.360450
HF Energy	-1196.360090
Nuclear repulsion energy	346.138558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1669	1663	0.00
2	A_g	1092	1088	0.00
3	A_g	607	605	0.00
4	A_g	402	401	0.00
5	A_g	278	277	0.00
6	A_u	343	342	0.38
7	A_u	125	125	0.25
8	B_g	509	507	0.00
9	B_u	1133	1130	286.39
10	B_u	816	814	185.73
11	B_u	407	406	1.63
12	B_u	172	172	1.87

Atom	x (Å)	y (Å)
C1	-0.062	0.667
C2	0.062	-0.667
F3	-1.273	1.258
F4	1.273	-1.258
Cl5	1.273	1.767
Cl6	-1.273	-1.767

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3407	1.3470	2.3425	1.7296	2.7193
C2	1.3407		2.3425	1.3470	2.7193	1.7296
F3	1.3470	2.3425		3.5786	2.5962	3.0249
F4	2.3425	1.3470	3.5786		3.0249	2.5962
Cl5	1.7296	2.7193	2.5962	3.0249		4.3559
Cl6	2.7193	1.7296	3.0249	2.5962	4.3559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.282	C1	C2	Cl6	124.186
C2	C1	F3	121.282	C2	C1	Cl5	124.186
F3	C1	Cl5	114.532	F4	C2	Cl6	114.532

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

using model chemistry: BLYP/aug-cc-pVTZ

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	0.345
2	C	0.345
3	F	-0.285
4	F	-0.285
5	Cl	-0.060
6	Cl	-0.060

	x	y	z
x	9.326	2.252	0.000
y	2.252	11.629	0.000
z	0.000	0.000	5.956

<r²>	253.122
(<r²>)^1/2	15.910