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	hartrees
Energy at 0K	-1195.718310
Energy at 298.15K	-1195.718883
HF Energy	-1195.718310
Nuclear repulsion energy	350.463667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1805	1736	0.00
2	A_g	1207	1161	0.00
3	A_g	648	623	0.00
4	A_g	431	414	0.00
5	A_g	290	279	0.00
6	A_u	370	356	0.53
7	A_u	136	131	0.25
8	B_g	558	537	0.00
9	B_u	1239	1191	295.15
10	B_u	906	871	182.71
11	B_u	428	411	2.83
12	B_u	172	165	1.93

Atom	x (Å)	y (Å)
C1	-0.062	0.664
C2	0.062	-0.664
F3	-1.256	1.245
F4	1.256	-1.245
Cl5	1.256	1.745
Cl6	-1.256	-1.745

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3341	1.3277	2.3204	1.7051	2.6885
C2	1.3341		2.3204	1.3277	2.6885	1.7051
F3	1.3277	2.3204		3.5376	2.5620	2.9899
F4	2.3204	1.3277	3.5376		2.9899	2.5620
Cl5	1.7051	2.6885	2.5620	2.9899		4.3002
Cl6	2.6885	1.7051	2.9899	2.5620	4.3002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.321	C1	C2	Cl6	123.958
C2	C1	F3	121.321	C2	C1	Cl5	123.958
F3	C1	Cl5	114.721	F4	C2	Cl6	114.721

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

using model chemistry: PBE1PBE/aug-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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Number	Element	Mulliken
1	C	0.482
2	C	0.482
3	F	-0.422
4	F	-0.422
5	Cl	-0.060
6	Cl	-0.060

	x	y	z
x	8.466	2.062	0.000
y	2.062	10.694	0.000
z	0.000	0.000	5.473

<r²>	247.340
(<r²>)^1/2	15.727