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	hartrees
Energy at 0K	-1182.421118
Energy at 298.15K	-1182.421161
HF Energy	-1182.421118
Nuclear repulsion energy	338.901560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1857	1633	0.00
2	A_g	1307	1148	0.00
3	A_g	656	576	0.00
4	A_g	412	362	0.00
5	A_g	264	232	0.00
6	A_u	353	311	1.84
7	A_u	130	114	1.46
8	B_g	463	407	0.00
9	B_u	1400	1231	140.11
10	B_u	885	778	140.44
11	B_u	403	354	2.33
12	B_u	149	131	2.98

Atom	x (Å)	y (Å)
C1	-0.106	0.672
C2	0.106	-0.672
F3	-1.316	1.266
F4	1.316	-1.266
Cl5	1.316	1.786
Cl6	-1.316	-1.786

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3610	1.3482	2.4044	1.8067	2.7399
C2	1.3610		2.4044	1.3482	2.7399	1.8067
F3	1.3482	2.4044		3.6531	2.6835	3.0523
F4	2.4044	1.3482	3.6531		3.0523	2.6835
Cl5	1.8067	2.7399	2.6835	3.0523		4.4373
Cl6	2.7399	1.8067	3.0523	2.6835	4.4373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.127	C1	C2	Cl6	119.083
C2	C1	F3	125.127	C2	C1	Cl5	119.083
F3	C1	Cl5	115.790	F4	C2	Cl6	115.790

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

using model chemistry: mPW1PW91/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	0.110
2	C	0.110
3	F	-0.011
4	F	-0.011
5	Cl	-0.099
6	Cl	-0.099

	x	y	z
x	4.419	1.621	0.000
y	1.621	5.545	0.000
z	0.000	0.000	0.525

<r²>	259.908
(<r²>)^1/2	16.122