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	hartrees
Energy at 0K	-1194.488377
Energy at 298.15K	-1194.488996
HF Energy	-1193.564608
Nuclear repulsion energy	348.724126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1829	1750	0.00
2	A_g	1259	1205	0.00
3	A_g	650	622	0.00
4	A_g	435	416	0.00
5	A_g	294	282	0.00
6	A_u	382	365	1.79
7	A_u	138	132	0.19
8	B_g	566	542	0.00
9	B_u	1278	1223	299.61
10	B_u	906	867	166.98
11	B_u	431	413	3.79
12	B_u	179	172	2.46

Atom	x (Å)	y (Å)
C1	-0.067	0.667
C2	0.067	-0.667
F3	-1.264	1.246
F4	1.264	-1.246
Cl5	1.264	1.754
Cl6	-1.264	-1.754

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3401	1.3296	2.3305	1.7190	2.6999
C2	1.3401		2.3305	1.3296	2.6999	1.7190
F3	1.3296	2.3305		3.5500	2.5791	2.9994
F4	2.3305	1.3296	3.5500		2.9994	2.5791
Cl5	1.7190	2.6999	2.5791	2.9994		4.3236
Cl6	2.6999	1.7190	2.9994	2.5791	4.3236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.601	C1	C2	Cl6	123.440
C2	C1	F3	121.601	C2	C1	Cl5	123.440
F3	C1	Cl5	114.959	F4	C2	Cl6	114.959

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

using model chemistry: CCD/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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