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	hartrees
Energy at 0K	-1194.513829
Energy at 298.15K	-1194.514435
HF Energy	-1193.564520
Nuclear repulsion energy	348.679251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1822	1822	0.00
2	A_g	1251	1251	0.00
3	A_g	648	648	0.00
4	A_g	434	434	0.00
5	A_g	294	294	0.00
6	A_u	381	381	1.59
7	A_u	138	138	0.20
8	B_g	560	560	0.00
9	B_u	1269	1269	300.64
10	B_u	903	903	168.31
11	B_u	430	430	3.54
12	B_u	179	179	2.44

Atom	x (Å)	y (Å)
C1	-0.067	0.667
C2	0.067	-0.667
F3	-1.265	1.247
F4	1.265	-1.247
Cl5	1.265	1.753
Cl6	-1.265	-1.753

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3402	1.3306	2.3314	1.7186	2.6996
C2	1.3402		2.3314	1.3306	2.6996	1.7186
F3	1.3306	2.3314		3.5519	2.5798	2.9993
F4	2.3314	1.3306	3.5519		2.9993	2.5798
Cl5	1.7186	2.6996	2.5798	2.9993		4.3228
Cl6	2.6996	1.7186	2.9993	2.5798	4.3228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.595	C1	C2	Cl6	123.430
C2	C1	F3	121.595	C2	C1	Cl5	123.430
F3	C1	Cl5	114.975	F4	C2	Cl6	114.975

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

using model chemistry: CCSD=FULL/cc-pVDZ

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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