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	hartrees
Energy at 0K	-1195.997743
Energy at 298.15K	-1195.998216
HF Energy	-1195.997743
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1836	1836	0.00
2	A_g	1189	1189	0.00
3	A_g	619	619	0.00
4	A_g	413	413	0.00
5	A_g	282	282	0.00
6	A_u	362	362	3.29
7	A_u	133	133	0.22
8	B_g	579	579	0.00
9	B_u	1218	1218	237.79
10	B_u	858	858	166.96
11	B_u	408	408	2.75
12	B_u	173	173	3.54

Atom	x (Å)	y (Å)
C1	-0.065	0.659
C2	0.065	-0.659
F3	-1.291	1.253
F4	1.291	-1.253
Cl5	1.291	1.787
Cl6	-1.291	-1.787

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3252	1.3622	2.3439	1.7630	2.7366
C2	1.3252		2.3439	1.3622	2.7366	1.7630
F3	1.3622	2.3439		3.5976	2.6359	3.0401
F4	2.3439	1.3622	3.5976		3.0401	2.6359
Cl5	1.7630	2.7366	2.6359	3.0401		4.4088
Cl6	2.7366	1.7630	3.0401	2.6359	4.4088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.422	C1	C2	Cl6	124.175
C2	C1	F3	121.422	C2	C1	Cl5	124.175
F3	C1	Cl5	114.403	F4	C2	Cl6	114.403

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

using model chemistry: wB97X-D/6-31G

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	0.068
2	C	0.068
3	F	-0.263
4	F	-0.263
5	Cl	0.195
6	Cl	0.195

	x	y	z
x	6.581	2.347	0.000
y	2.347	8.261	0.000
z	0.000	0.000	2.192

<r²>	257.768
(<r²>)^1/2	16.055