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	hartrees
Energy at 0K	-1189.629871
Energy at 298.15K	-1189.630166
HF Energy	-1189.629871
Nuclear repulsion energy	340.092942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1768	1752	0.00
2	A_g	1134	1123	0.00
3	A_g	599	593	0.00
4	A_g	380	377	0.00
5	A_g	265	262	0.00
6	A_u	352	349	0.32
7	A_u	128	127	0.00
8	B_g	548	543	0.00
9	B_u	1256	1244	204.06
10	B_u	762	755	187.40
11	B_u	377	374	0.20
12	B_u	162	161	3.94

Atom	x (Å)	y (Å)
C1	-0.105	0.657
C2	0.105	-0.657
F3	-1.321	1.246
F4	1.321	-1.246
Cl5	1.321	1.773
Cl6	-1.321	-1.773

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3313	1.3512	2.3783	1.8108	2.7176
C2	1.3313		2.3783	1.3512	2.7176	1.8108
F3	1.3512	2.3783		3.6320	2.6948	3.0185
F4	2.3783	1.3512	3.6320		3.0185	2.6948
Cl5	1.8108	2.7176	2.6948	3.0185		4.4222
Cl6	2.7176	1.8108	3.0185	2.6948	4.4222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	124.889	C1	C2	Cl6	118.951
C2	C1	F3	124.889	C2	C1	Cl5	118.951
F3	C1	Cl5	116.160	F4	C2	Cl6	116.160

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

using model chemistry: PBEPBE/3-21G

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	0.027
2	C	0.027
3	F	-0.178
4	F	-0.178
5	Cl	0.151
6	Cl	0.151

	x	y	z
x	6.934	2.629	0.000
y	2.629	8.227	0.000
z	0.000	0.000	1.869

<r²>	259.950
(<r²>)^1/2	16.123