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	hartrees
Energy at 0K	-1182.489545
Energy at 298.15K	-1182.489593
HF Energy	-1182.489545
Nuclear repulsion energy	339.300175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1861	1643	0.00
2	A_g	1305	1152	0.00
3	A_g	655	578	0.00
4	A_g	411	363	0.00
5	A_g	261	231	0.00
6	A_u	357	315	2.03
7	A_u	133	117	1.43
8	B_g	471	416	0.00
9	B_u	1401	1237	141.04
10	B_u	883	780	140.19
11	B_u	402	355	2.41
12	B_u	147	130	2.92

Atom	x (Å)	y (Å)
C1	-0.106	0.671
C2	0.106	-0.671
F3	-1.315	1.265
F4	1.315	-1.265
Cl5	1.315	1.783
Cl6	-1.315	-1.783

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3597	1.3467	2.4024	1.8046	2.7358
C2	1.3597		2.4024	1.3467	2.7358	1.8046
F3	1.3467	2.4024		3.6498	2.6811	3.0478
F4	2.4024	1.3467	3.6498		3.0478	2.6811
Cl5	1.8046	2.7358	2.6811	3.0478		4.4310
Cl6	2.7358	1.8046	3.0478	2.6811	4.4310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.159	C1	C2	Cl6	119.006
C2	C1	F3	125.159	C2	C1	Cl5	119.006
F3	C1	Cl5	115.836	F4	C2	Cl6	115.836

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

using model chemistry: B1B95/STO-3G

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	0.114
2	C	0.114
3	F	-0.014
4	F	-0.014
5	Cl	-0.101
6	Cl	-0.101

	x	y	z
x	4.418	1.622	0.000
y	1.622	5.530	0.000
z	0.000	0.000	0.523

<r²>	259.332
(<r²>)^1/2	16.104