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	hartrees
Energy at 0K	-1193.691838
Energy at 298.15K	-1193.692717
HF Energy	-1193.691838
Nuclear repulsion energy	354.385341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1956	1773	0.00
2	A_g	1332	1207	0.00
3	A_g	701	635	0.00
4	A_g	466	423	0.00
5	A_g	315	285	0.00
6	A_u	423	383	1.65
7	A_u	150	136	0.22
8	B_g	672	609	0.00
9	B_u	1353	1226	349.31
10	B_u	956	866	196.54
11	B_u	464	421	3.41
12	B_u	194	176	2.43

Atom	x (Å)	y (Å)
C1	-0.064	0.650
C2	0.064	-0.650
F3	-1.237	1.219
F4	1.237	-1.219
Cl5	1.237	1.742
Cl6	-1.237	-1.742

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3062	1.3041	2.2774	1.6989	2.6641
C2	1.3062		2.2774	1.3041	2.6641	1.6989
F3	1.3041	2.2774		3.4740	2.5296	2.9607
F4	2.2774	1.3041	3.4740		2.9607	2.5296
Cl5	1.6989	2.6641	2.5296	2.9607		4.2733
Cl6	2.6641	1.6989	2.9607	2.5296	4.2733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.497	C1	C2	Cl6	124.364
C2	C1	F3	121.497	C2	C1	Cl5	124.364
F3	C1	Cl5	114.139	F4	C2	Cl6	114.139

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

using model chemistry: HF/Def2TZVPP

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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Number	Element	Mulliken
1	C	0.236
2	C	0.236
3	F	-0.218
4	F	-0.218
5	Cl	-0.017
6	Cl	-0.017

	x	y	z
x	7.028	1.961	0.000
y	1.961	9.252	0.000
z	0.000	0.000	4.414

<r²>	243.265
(<r²>)^1/2	15.597