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	hartrees
Energy at 0K	-1188.565332
Energy at 298.15K	-1188.565896
HF Energy	-1187.851011
Nuclear repulsion energy	346.885262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1760	1669	0.00
2	A_g	1216	1153	0.00
3	A_g	630	598	0.00
4	A_g	427	405	0.00
5	A_g	291	276	0.00
6	A_u	372	353	2.69
7	A_u	143	136	0.25
8	B_g	596	565	0.00
9	B_u	1247	1182	162.30
10	B_u	877	832	159.32
11	B_u	416	394	1.52
12	B_u	177	168	3.89

Atom	x (Å)	y (Å)
C1	-0.064	0.664
C2	0.064	-0.664
F3	-1.293	1.265
F4	1.293	-1.265
Cl5	1.293	1.716
Cl6	-1.293	-1.716

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3336	1.3686	2.3581	1.7171	2.6786
C2	1.3336		2.3581	1.3686	2.6786	1.7171
F3	1.3686	2.3581		3.6178	2.6254	2.9809
F4	2.3581	1.3686	3.6178		2.9809	2.6254
Cl5	1.7171	2.6786	2.6254	2.9809		4.2975
Cl6	2.6786	1.7171	2.9809	2.6254	4.2975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.531	C1	C2	Cl6	122.316
C2	C1	F3	121.531	C2	C1	Cl5	122.316
F3	C1	Cl5	116.153	F4	C2	Cl6	116.153

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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