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	hartrees
Energy at 0K	-1188.155015
Energy at 298.15K	-1188.155397
HF Energy	-1187.621458
Nuclear repulsion energy	339.000704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1797	1716	0.00
2	A_g	1179	1125	0.00
3	A_g	607	580	0.00
4	A_g	388	370	0.00
5	A_g	268	256	0.00
6	A_u	365	349	3.19
7	A_u	136	130	0.02
8	B_g	576	550	0.00
9	B_u	1261	1204	182.21
10	B_u	786	750	142.17
11	B_u	384	367	1.43
12	B_u	165	158	4.13

Atom	x (Å)	y (Å)
C1	-0.094	0.656
C2	0.094	-0.656
F3	-1.321	1.242
F4	1.321	-1.242
Cl5	1.321	1.792
Cl6	-1.321	-1.792

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3249	1.3597	2.3674	1.8151	2.7377
C2	1.3249		2.3674	1.3597	2.7377	1.8151
F3	1.3597	2.3674		3.6265	2.6991	3.0336
F4	2.3674	1.3597	3.6265		3.0336	2.6991
Cl5	1.8151	2.7377	2.6991	3.0336		4.4524
Cl6	2.7377	1.8151	3.0336	2.6991	4.4524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.725	C1	C2	Cl6	120.559
C2	C1	F3	123.725	C2	C1	Cl5	120.559
F3	C1	Cl5	115.716	F4	C2	Cl6	115.716

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

using model chemistry: MP2=FULL/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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