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	hartrees
Energy at 0K	-1196.246419
Energy at 298.15K	-1196.246922
HF Energy	-1196.246419
Nuclear repulsion energy	348.341324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1768	1705	0.00
2	A_g	1178	1136	0.00
3	A_g	636	613	0.00
4	A_g	423	408	0.00
5	A_g	290	279	0.00
6	A_u	361	348	0.94
7	A_u	132	127	0.35
8	B_g	546	526	0.00
9	B_u	1207	1164	332.92
10	B_u	876	845	197.68
11	B_u	424	409	2.94
12	B_u	177	170	2.24

Atom	x (Å)	y (Å)
C1	-0.058	0.665
C2	0.058	-0.665
F3	-1.262	1.249
F4	1.262	-1.249
Cl5	1.262	1.761
Cl6	-1.262	-1.761

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3352	1.3381	2.3255	1.7161	2.7083
C2	1.3352		2.3255	1.3381	2.7083	1.7161
F3	1.3381	2.3255		3.5517	2.5758	3.0102
F4	2.3255	1.3381	3.5517		3.0102	2.5758
Cl5	1.7161	2.7083	2.5758	3.0102		4.3332
Cl6	2.7083	1.7161	3.0102	2.5758	4.3332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.897	C1	C2	Cl6	124.678
C2	C1	F3	120.897	C2	C1	Cl5	124.678
F3	C1	Cl5	114.426	F4	C2	Cl6	114.426

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

using model chemistry: B3LYP/6-31+G**

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	0.096
2	C	0.096
3	F	-0.256
4	F	-0.256
5	Cl	0.159
6	Cl	0.159

	x	y	z
x	7.727	2.129	0.000
y	2.129	9.961	0.000
z	0.000	0.000	4.456

<r²>	250.518
(<r²>)^1/2	15.828