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	hartrees
Energy at 0K	-1196.287424
Energy at 298.15K	-1196.287883
HF Energy	-1196.287424
Nuclear repulsion energy	349.659943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1691	1669	0.00
2	A_g	1131	1116	0.00
3	A_g	624	616	0.00
4	A_g	416	411	0.00
5	A_g	289	286	0.00
6	A_u	354	350	0.29
7	A_u	127	126	0.27
8	B_g	520	513	0.00
9	B_u	1168	1153	296.19
10	B_u	852	841	188.44
11	B_u	421	416	1.60
12	B_u	181	178	1.89

Atom	x (Å)	y (Å)
C1	-0.061	0.667
C2	0.061	-0.667
F3	-1.260	1.251
F4	1.260	-1.251
Cl5	1.260	1.745
Cl6	-1.260	-1.745

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3402	1.3336	2.3292	1.7053	2.6940
C2	1.3402		2.3292	1.3336	2.6940	1.7053
F3	1.3336	2.3292		3.5512	2.5689	2.9957
F4	2.3292	1.3336	3.5512		2.9957	2.5689
Cl5	1.7053	2.6940	2.5689	2.9957		4.3053
Cl6	2.6940	1.7053	2.9957	2.5689	4.3053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.838	C1	C2	Cl6	123.672
C2	C1	F3	121.838	C2	C1	Cl5	123.672
F3	C1	Cl5	114.490	F4	C2	Cl6	114.490

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.442
2	C	0.442
3	F	-0.373
4	F	-0.373
5	Cl	-0.069
6	Cl	-0.069

	x	y	z
x	8.924	2.213	0.000
y	2.213	11.225	0.000
z	0.000	0.000	5.691

<r²>	248.075
(<r²>)^1/2	15.750