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	hartrees
Energy at 0K	-1193.538118
Energy at 298.15K	-1193.539000
HF Energy	-1193.538118
Nuclear repulsion energy	354.263668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1976	1789	0.00
2	A_g	1343	1216	0.00
3	A_g	703	636	0.00
4	A_g	466	422	0.00
5	A_g	315	285	0.00
6	A_u	428	388	3.29
7	A_u	152	138	0.05
8	B_g	669	606	0.00
9	B_u	1377	1247	321.31
10	B_u	953	863	197.49
11	B_u	461	418	3.11
12	B_u	194	175	2.73

Atom	x (Å)	y (Å)
C1	-0.071	0.650
C2	0.071	-0.650
F3	-1.240	1.216
F4	1.240	-1.216
Cl5	1.240	1.741
Cl6	-1.240	-1.741

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3084	1.2984	2.2804	1.7053	2.6620
C2	1.3084		2.2804	1.2984	2.6620	1.7053
F3	1.2984	2.2804		3.4728	2.5345	2.9571
F4	2.2804	1.2984	3.4728		2.9571	2.5345
Cl5	1.7053	2.6620	2.5345	2.9571		4.2750
Cl6	2.6620	1.7053	2.9571	2.5345	4.2750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.041	C1	C2	Cl6	123.551
C2	C1	F3	122.041	C2	C1	Cl5	123.551
F3	C1	Cl5	114.409	F4	C2	Cl6	114.409

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

using model chemistry: HF/6-31G(2df,p)

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	0.243
2	C	0.243
3	F	-0.178
4	F	-0.178
5	Cl	-0.065
6	Cl	-0.065

	x	y	z
x	6.743	1.976	0.000
y	1.976	9.102	0.000
z	0.000	0.000	4.028

<r²>	243.203
(<r²>)^1/2	15.595