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	hartrees
Energy at 0K	-1196.244503
Energy at 298.15K	-1196.245042
HF Energy	-1196.244503
Nuclear repulsion energy	351.574777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1823	1731	0.00
2	A_g	1252	1188	0.00
3	A_g	656	623	0.00
4	A_g	432	411	0.00
5	A_g	288	273	0.00
6	A_u	374	355	1.29
7	A_u	138	131	0.11
8	B_g	555	527	0.00
9	B_u	1293	1228	305.59
10	B_u	905	859	195.70
11	B_u	428	407	2.27
12	B_u	166	157	2.39

Atom	x (Å)	y (Å)
C1	-0.065	0.662
C2	0.065	-0.662
F3	-1.256	1.235
F4	1.256	-1.235
Cl5	1.256	1.736
Cl6	-1.256	-1.736

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3296	1.3214	2.3115	1.7031	2.6773
C2	1.3296		2.3115	1.3214	2.6773	1.7031
F3	1.3214	2.3115		3.5229	2.5611	2.9717
F4	2.3115	1.3214	3.5229		2.9717	2.5611
Cl5	1.7031	2.6773	2.5611	2.9717		4.2859
Cl6	2.6773	1.7031	2.9717	2.5611	4.2859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.366	C1	C2	Cl6	123.493
C2	C1	F3	121.366	C2	C1	Cl5	123.493
F3	C1	Cl5	115.141	F4	C2	Cl6	115.141

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

using model chemistry: B1B95/6-31G*

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	0.154
2	C	0.154
3	F	-0.227
4	F	-0.227
5	Cl	0.073
6	Cl	0.073

	x	y	z
x	6.645	2.175	0.000
y	2.175	8.628	0.000
z	0.000	0.000	3.063

<r²>	245.282
(<r²>)^1/2	15.661