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	hartrees
Energy at 0K	-1195.751303
Energy at 298.15K	-1195.751860
HF Energy	-1195.455705
Nuclear repulsion energy	348.773833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1787	1711	0.00
2	A_g	1215	1163	0.00
3	A_g	642	614	0.00
4	A_g	428	409	0.00
5	A_g	291	278	0.00
6	A_u	374	358	0.78
7	A_u	136	130	0.18
8	B_g	552	528	0.00
9	B_u	1244	1192	312.74
10	B_u	884	846	188.39
11	B_u	425	407	2.25
12	B_u	176	168	2.31

Atom	x (Å)	y (Å)
C1	-0.068	0.666
C2	0.068	-0.666
F3	-1.266	1.246
F4	1.266	-1.246
Cl5	1.266	1.750
Cl6	-1.266	-1.750

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3389	1.3304	2.3314	1.7191	2.6967
C2	1.3389		2.3314	1.3304	2.6967	1.7191
F3	1.3304	2.3314		3.5522	2.5809	2.9965
F4	2.3314	1.3304	3.5522		2.9965	2.5809
Cl5	1.7191	2.6967	2.5809	2.9965		4.3200
Cl6	2.6967	1.7191	2.9965	2.5809	4.3200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.715	C1	C2	Cl6	123.247
C2	C1	F3	121.715	C2	C1	Cl5	123.247
F3	C1	Cl5	115.038	F4	C2	Cl6	115.038

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

using model chemistry: B2PLYP/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	0.136
2	C	0.136
3	F	-0.132
4	F	-0.132
5	Cl	-0.004
6	Cl	-0.004

	x	y	z
x	6.669	2.204	0.000
y	2.204	8.449	0.000
z	0.000	0.000	2.873

<r²>	249.116
(<r²>)^1/2	15.783