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	hartrees
Energy at 0K	-1189.872780
Energy at 298.15K	-1189.873215
HF Energy	-1189.872780
Nuclear repulsion energy	346.298264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1718	1638	0.00
2	A_g	1162	1108	0.00
3	A_g	617	588	0.00
4	A_g	409	390	0.00
5	A_g	281	268	0.00
6	A_u	358	342	0.15
7	A_u	133	127	0.18
8	B_g	578	551	0.00
9	B_u	1227	1170	184.51
10	B_u	833	795	181.32
11	B_u	399	381	0.25
12	B_u	169	161	3.45

Atom	x (Å)	y (Å)
C1	-0.073	0.666
C2	0.073	-0.666
F3	-1.297	1.264
F4	1.297	-1.264
Cl5	1.297	1.717
Cl6	-1.297	-1.717

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3409	1.3619	2.3674	1.7268	2.6793
C2	1.3409		2.3674	1.3619	2.6793	1.7268
F3	1.3619	2.3674		3.6222	2.6335	2.9810
F4	2.3674	1.3619	3.6222		2.9810	2.6335
Cl5	1.7268	2.6793	2.6335	2.9810		4.3038
Cl6	2.6793	1.7268	2.9810	2.6335	4.3038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.305	C1	C2	Cl6	121.194
C2	C1	F3	122.305	C2	C1	Cl5	121.194
F3	C1	Cl5	116.501	F4	C2	Cl6	116.501

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

using model chemistry: PBEPBE/3-21G*

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	0.085
2	C	0.085
3	F	-0.195
4	F	-0.195
5	Cl	0.110
6	Cl	0.110

	x	y	z
x	6.871	2.287	0.000
y	2.287	8.409	0.000
z	0.000	0.000	2.465

<r²>	250.280
(<r²>)^1/2	15.820