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	hartrees
Energy at 0K	-1196.362132
Energy at 298.15K	-1196.362655
HF Energy	-1196.362132
Nuclear repulsion energy	349.200851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1767	1707	0.00
2	A_g	1179	1139	0.00
3	A_g	638	617	0.00
4	A_g	422	408	0.00
5	A_g	290	281	0.00
6	A_u	366	353	0.73
7	A_u	134	129	0.25
8	B_g	557	538	0.00
9	B_u	1219	1178	333.94
10	B_u	862	833	208.94
11	B_u	426	411	1.94
12	B_u	178	172	2.62

Atom	x (Å)	y (Å)
C1	-0.067	0.662
C2	0.067	-0.662
F3	-1.262	1.243
F4	1.262	-1.243
Cl5	1.262	1.753
Cl6	-1.262	-1.753

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3304	1.3286	2.3225	1.7198	2.6945
C2	1.3304		2.3225	1.3286	2.6945	1.7198
F3	1.3286	2.3225		3.5423	2.5751	2.9960
F4	2.3225	1.3286	3.5423		2.9960	2.5751
Cl5	1.7198	2.6945	2.5751	2.9960		4.3205
Cl6	2.6945	1.7198	2.9960	2.5751	4.3205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.718	C1	C2	Cl6	123.604
C2	C1	F3	121.718	C2	C1	Cl5	123.604
F3	C1	Cl5	114.678	F4	C2	Cl6	114.678

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

using model chemistry: B3LYP/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	0.148
2	C	0.148
3	F	-0.164
4	F	-0.164
5	Cl	0.016
6	Cl	0.016

	x	y	z
x	7.035	2.535	0.000
y	2.535	8.934	0.000
z	0.000	0.000	2.920

<r²>	249.302
(<r²>)^1/2	15.789