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	hartrees
Energy at 0K	-1196.302203
Energy at 298.15K	-1196.302547
HF Energy	-1196.302203
Nuclear repulsion energy	345.365134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1680	1675	0.00
2	A_g	1105	1103	0.00
3	A_g	608	606	0.00
4	A_g	400	399	0.00
5	A_g	280	279	0.00
6	A_u	345	345	0.31
7	A_u	126	126	0.21
8	B_g	507	506	0.00
9	B_u	1152	1149	314.10
10	B_u	809	807	212.54
11	B_u	408	407	1.15
12	B_u	173	173	2.44

Atom	x (Å)	y (Å)
C1	-0.068	0.668
C2	0.068	-0.668
F3	-1.277	1.258
F4	1.277	-1.258
Cl5	1.277	1.771
Cl6	-1.277	-1.771

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3431	1.3447	2.3490	1.7393	2.7219
C2	1.3431		2.3490	1.3447	2.7219	1.7393
F3	1.3447	2.3490		3.5844	2.6045	3.0286
F4	2.3490	1.3447	3.5844		3.0286	2.6045
Cl5	1.7393	2.7219	2.6045	3.0286		4.3663
Cl6	2.7219	1.7393	3.0286	2.6045	4.3663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.846	C1	C2	Cl6	123.515
C2	C1	F3	121.846	C2	C1	Cl5	123.515
F3	C1	Cl5	114.639	F4	C2	Cl6	114.639

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

using model chemistry: BLYP/6-311G*

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	0.128
2	C	0.128
3	F	-0.144
4	F	-0.144
5	Cl	0.016
6	Cl	0.016

	x	y	z
x	7.475	2.710	0.000
y	2.710	9.339	0.000
z	0.000	0.000	2.966

<r²>	254.197
(<r²>)^1/2	15.944