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	hartrees
Energy at 0K	-1195.049549
Energy at 298.15K	-1195.042802
HF Energy	-1193.502283
Nuclear repulsion energy	353.173472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1986	1986	0.00
2	A_g	1341	1341	0.00
3	A_g	700	700	0.00
4	A_g	465	465	0.00
5	A_g	315	315	0.00
6	A_u	422	422	4.94
7	A_u	152	152	0.13
8	B_g	655	655	0.00
9	B_u	1357	1357	370.57
10	B_u	960	960	210.54
11	B_u	462	462	3.99
12	B_u	193	193	3.15

Atom	x (Å)	y (Å)
C1	-0.066	0.653
C2	0.066	-0.653
F3	-1.242	1.224
F4	1.242	-1.224
Cl5	1.242	1.748
Cl6	-1.242	-1.748

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3116	1.3079	2.2871	1.7057	2.6731
C2	1.3116		2.2871	1.3079	2.6731	1.7057
F3	1.3079	2.2871		3.4875	2.5390	2.9714
F4	2.2871	1.3079	3.4875		2.9714	2.5390
Cl5	1.7057	2.6731	2.5390	2.9714		4.2882
Cl6	2.6731	1.7057	2.9714	2.5390	4.2882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.633	C1	C2	Cl6	124.206
C2	C1	F3	121.633	C2	C1	Cl5	124.206
F3	C1	Cl5	114.161	F4	C2	Cl6	114.161

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

using model chemistry: CBS-Q

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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