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	hartrees
Energy at 0K	-1194.631267
Energy at 298.15K	-1194.631858
HF Energy	-1193.659258
Nuclear repulsion energy	349.832005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1820	1725	0.00
2	A_g	1246	1181	0.00
3	A_g	654	620	0.00
4	A_g	435	413	0.00
5	A_g	297	281	0.00
6	A_u	364	345	1.32
7	A_u	135	128	0.35
8	B_g	542	514	0.00
9	B_u	1271	1205	303.50
10	B_u	904	857	164.24
11	B_u	436	413	4.39
12	B_u	182	172	2.37

Atom	x (Å)	y (Å)
C1	-0.063	0.660
C2	0.063	-0.660
F3	-1.259	1.234
F4	1.259	-1.234
Cl5	1.259	1.756
Cl6	-1.259	-1.756

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3267	1.3258	2.3097	1.7170	2.6957
C2	1.3267		2.3097	1.3258	2.6957	1.7170
F3	1.3258	2.3097		3.5249	2.5711	2.9894
F4	2.3097	1.3258	3.5249		2.9894	2.5711
Cl5	1.7170	2.6957	2.5711	2.9894		4.3208
Cl6	2.6957	1.7170	2.9894	2.5711	4.3208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.100	C1	C2	Cl6	124.164
C2	C1	F3	121.100	C2	C1	Cl5	124.164
F3	C1	Cl5	114.736	F4	C2	Cl6	114.736

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

using model chemistry: CCD/TZVP

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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