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	hartrees
Energy at 0K	-1181.724376
Energy at 298.15K	-1181.724203
HF Energy	-1181.724376
Nuclear repulsion energy	335.311236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1766	1614	0.00
2	A_g	1240	1133	0.00
3	A_g	626	572	0.00
4	A_g	390	356	0.00
5	A_g	253	231	0.00
6	A_u	331	302	0.36
7	A_u	120	110	1.75
8	B_g	383	350	0.00
9	B_u	1366	1248	132.55
10	B_u	827	756	146.84
11	B_u	387	354	1.76
12	B_u	144	132	2.87

Atom	x (Å)	y (Å)
C1	-0.112	0.680
C2	0.112	-0.680
F3	-1.331	1.276
F4	1.331	-1.276
Cl5	1.331	1.806
Cl6	-1.331	-1.806

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3788	1.3565	2.4306	1.8307	2.7692
C2	1.3788		2.4306	1.3565	2.7692	1.8307
F3	1.3565	2.4306		3.6871	2.7146	3.0819
F4	2.4306	1.3565	3.6871		3.0819	2.7146
Cl5	1.8307	2.7692	2.7146	3.0819		4.4876
Cl6	2.7692	1.8307	3.0819	2.7146	4.4876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.400	C1	C2	Cl6	118.595
C2	C1	F3	125.400	C2	C1	Cl5	118.595
F3	C1	Cl5	116.005	F4	C2	Cl6	116.005

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

using model chemistry: PBEPBE/STO-3G

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	0.081
2	C	0.081
3	F	0.024
4	F	0.024
5	Cl	-0.106
6	Cl	-0.106

	x	y	z
x	4.752	1.727	0.000
y	1.727	5.772	0.000
z	0.000	0.000	0.554

<r²>	264.795
(<r²>)^1/2	16.273