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	hartrees
Energy at 0K	-1196.375917
Energy at 298.15K	-1196.376488
HF Energy	-1196.375917
Nuclear repulsion energy	352.174136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1809	1734	0.00
2	A_g	1224	1173	0.00
3	A_g	655	628	0.00
4	A_g	433	415	0.00
5	A_g	289	277	0.00
6	A_u	374	359	0.74
7	A_u	138	132	0.29
8	B_g	571	548	0.00
9	B_u	1262	1210	347.17
10	B_u	899	862	209.94
11	B_u	432	414	2.55
12	B_u	167	161	2.61

Atom	x (Å)	y (Å)
C1	-0.066	0.660
C2	0.066	-0.660
F3	-1.253	1.235
F4	1.253	-1.235
Cl5	1.253	1.734
Cl6	-1.253	-1.734

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3260	1.3192	2.3084	1.7007	2.6719
C2	1.3260		2.3084	1.3192	2.6719	1.7007
F3	1.3192	2.3084		3.5184	2.5549	2.9689
F4	2.3084	1.3192	3.5184		2.9689	2.5549
Cl5	1.7007	2.6719	2.5549	2.9689		4.2784
Cl6	2.6719	1.7007	2.9689	2.5549	4.2784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.538	C1	C2	Cl6	123.480
C2	C1	F3	121.538	C2	C1	Cl5	123.480
F3	C1	Cl5	114.982	F4	C2	Cl6	114.982

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

using model chemistry: B1B95/6-311G*

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	0.138
2	C	0.138
3	F	-0.162
4	F	-0.162
5	Cl	0.024
6	Cl	0.024

	x	y	z
x	6.874	2.448	0.000
y	2.448	8.736	0.000
z	0.000	0.000	2.918

<r²>	245.140
(<r²>)^1/2	15.657