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	hartrees
Energy at 0K	-1192.651716
Energy at 298.15K	-1192.652229
HF Energy	-1192.651716
Nuclear repulsion energy	351.677973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1776	1756	0.00
2	A_g	1221	1207	0.00
3	A_g	645	638	0.00
4	A_g	424	420	0.00
5	A_g	283	280	0.00
6	A_u	362	358	0.02
7	A_u	133	132	0.17
8	B_g	548	542	0.00
9	B_u	1277	1263	310.94
10	B_u	891	882	189.33
11	B_u	422	417	1.64
12	B_u	165	163	1.96

Atom	x (Å)	y (Å)
C1	-0.072	0.666
C2	0.072	-0.666
F3	-1.259	1.237
F4	1.259	-1.237
Cl5	1.259	1.728
Cl6	-1.259	-1.728

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3400	1.3172	2.3224	1.7023	2.6723
C2	1.3400		2.3224	1.3172	2.6723	1.7023
F3	1.3172	2.3224		3.5300	2.5647	2.9655
F4	2.3224	1.3172	3.5300		2.9655	2.5647
Cl5	1.7023	2.6723	2.5647	2.9655		4.2758
Cl6	2.6723	1.7023	2.9655	2.5647	4.2758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.846	C1	C2	Cl6	122.453
C2	C1	F3	121.846	C2	C1	Cl5	122.453
F3	C1	Cl5	115.702	F4	C2	Cl6	115.702

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

using model chemistry: LSDA/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	0.038
2	C	0.038
3	F	-0.054
4	F	-0.054
5	Cl	0.016
6	Cl	0.016

	x	y	z
x	6.897	2.313	0.000
y	2.313	8.661	0.000
z	0.000	0.000	2.928

<r²>	244.823
(<r²>)^1/2	15.647