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	hartrees
Energy at 0K	-1194.396947
Energy at 298.15K	-1194.397510
HF Energy	-1193.505177
Nuclear repulsion energy	349.131394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1822	1715	0.00
2	A_g	1256	1183	0.00
3	A_g	648	610	0.00
4	A_g	434	409	0.00
5	A_g	295	278	0.00
6	A_u	370	348	2.41
7	A_u	137	129	0.16
8	B_g	531	500	0.00
9	B_u	1268	1194	269.03
10	B_u	914	861	159.41
11	B_u	432	407	3.85
12	B_u	180	170	2.58

Atom	x (Å)	y (Å)
C1	-0.058	0.664
C2	0.058	-0.664
F3	-1.265	1.245
F4	1.265	-1.245
Cl5	1.265	1.748
Cl6	-1.265	-1.748

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3339	1.3393	2.3231	1.7097	2.6971
C2	1.3339		2.3231	1.3393	2.6971	1.7097
F3	1.3393	2.3231		3.5499	2.5790	2.9929
F4	2.3231	1.3393	3.5499		2.9929	2.5790
Cl5	1.7097	2.6971	2.5790	2.9929		4.3146
Cl6	2.6971	1.7097	2.9929	2.5790	4.3146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.691	C1	C2	Cl6	124.325
C2	C1	F3	120.691	C2	C1	Cl5	124.325
F3	C1	Cl5	114.985	F4	C2	Cl6	114.985

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

using model chemistry: QCISD/6-31G**

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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