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	hartrees
Energy at 0K	-1194.902743
Energy at 298.15K	-1194.903359
HF Energy	-1193.690431
Nuclear repulsion energy	350.883528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1812	1731	0.00
2	A_g	1245	1190	0.00
3	A_g	652	623	0.00
4	A_g	435	415	0.00
5	A_g	293	280	0.00
6	A_u	378	361	0.93
7	A_u	137	131	0.21
8	B_g	563	538	0.00
9	B_u	1273	1216	281.56
10	B_u	905	864	161.84
11	B_u	432	413	3.36
12	B_u	179	171	2.06

Atom	x (Å)	y (Å)
C1	-0.064	0.661
C2	0.064	-0.661
F3	-1.256	1.236
F4	1.256	-1.236
Cl5	1.256	1.745
Cl6	-1.256	-1.745

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3290	1.3229	2.3116	1.7080	2.6856
C2	1.3290		2.3116	1.3229	2.6856	1.7080
F3	1.3229	2.3116		3.5243	2.5626	2.9815
F4	2.3116	1.3229	3.5243		2.9815	2.5626
Cl5	1.7080	2.6856	2.5626	2.9815		4.3003
Cl6	2.6856	1.7080	2.9815	2.5626	4.3003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.297	C1	C2	Cl6	123.846
C2	C1	F3	121.297	C2	C1	Cl5	123.846
F3	C1	Cl5	114.857	F4	C2	Cl6	114.857

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

using model chemistry: QCISD/cc-pVTZ

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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