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	hartrees
Energy at 0K	-1193.591492
Energy at 298.15K	-1193.592335
HF Energy	-1193.591492
Nuclear repulsion energy	352.339733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1971	1794	0.00
2	A_g	1312	1195	0.00
3	A_g	691	629	0.00
4	A_g	462	420	0.00
5	A_g	311	283	0.00
6	A_u	414	377	1.99
7	A_u	150	136	0.19
8	B_g	648	590	0.00
9	B_u	1327	1208	323.56
10	B_u	955	870	194.21
11	B_u	457	416	3.98
12	B_u	189	172	2.52

Atom	x (Å)	y (Å)
C1	-0.064	0.653
C2	0.064	-0.653
F3	-1.245	1.227
F4	1.245	-1.227
Cl5	1.245	1.751
Cl6	-1.245	-1.751

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3130	1.3125	2.2912	1.7086	2.6789
C2	1.3130		2.2912	1.3125	2.6789	1.7086
F3	1.3125	2.2912		3.4959	2.5439	2.9787
F4	2.2912	1.3125	3.4959		2.9787	2.5439
Cl5	1.7086	2.6789	2.5439	2.9787		4.2974
Cl6	2.6789	1.7086	2.9787	2.5439	4.2974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.546	C1	C2	Cl6	124.378
C2	C1	F3	121.546	C2	C1	Cl5	124.378
F3	C1	Cl5	114.076	F4	C2	Cl6	114.076

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

using model chemistry: HF/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	0.642
2	C	0.642
3	F	-0.569
4	F	-0.569
5	Cl	-0.074
6	Cl	-0.074

	x	y	z
x	7.696	1.903	0.000
y	1.903	10.091	0.000
z	0.000	0.000	5.229

<r²>	246.033
(<r²>)^1/2	15.685