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	hartrees
Energy at 0K	-1189.952260
Energy at 298.15K	-1189.952815
HF Energy	-1189.723948
Nuclear repulsion energy	347.734185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1779	1779	0.00
2	A_g	1210	1210	0.00
3	A_g	634	634	0.00
4	A_g	424	424	0.00
5	A_g	289	289	0.00
6	A_u	372	372	1.66
7	A_u	142	142	0.27
8	B_g	608	608	0.00
9	B_u	1251	1251	176.99
10	B_u	866	866	166.10
11	B_u	411	411	1.03
12	B_u	176	176	3.84

Atom	x (Å)	y (Å)
C1	-0.067	0.661
C2	0.067	-0.661
F3	-1.290	1.256
F4	1.290	-1.256
Cl5	1.290	1.716
Cl6	-1.290	-1.716

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3279	1.3599	2.3483	1.7188	2.6723
C2	1.3279		2.3483	1.3599	2.6723	1.7188
F3	1.3599	2.3483		3.6007	2.6199	2.9719
F4	2.3483	1.3599	3.6007		2.9719	2.6199
Cl5	1.7188	2.6723	2.6199	2.9719		4.2928
Cl6	2.6723	1.7188	2.9719	2.6199	4.2928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.778	C1	C2	Cl6	122.071
C2	C1	F3	121.778	C2	C1	Cl5	122.071
F3	C1	Cl5	116.151	F4	C2	Cl6	116.151

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

using model chemistry: B2PLYP/3-21G*

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	0.155
2	C	0.155
3	F	-0.248
4	F	-0.248
5	Cl	0.094
6	Cl	0.094

	x	y	z
x	6.424	2.092	0.000
y	2.092	7.986	0.000
z	0.000	0.000	2.381

<r²>	248.990
(<r²>)^1/2	15.779