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	hartrees
Energy at 0K	-1196.294649
Energy at 298.15K	-1196.295139
HF Energy	-1196.294649
Nuclear repulsion energy	348.663940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1773	1724	0.00
2	A_g	1190	1158	0.00
3	A_g	636	618	0.00
4	A_g	421	409	0.00
5	A_g	284	276	0.00
6	A_u	369	359	0.40
7	A_u	134	130	0.16
8	B_g	533	518	0.00
9	B_u	1229	1195	324.08
10	B_u	870	846	202.03
11	B_u	417	406	1.75
12	B_u	166	162	2.24

Atom	x (Å)	y (Å)
C1	-0.068	0.666
C2	0.068	-0.666
F3	-1.266	1.249
F4	1.266	-1.249
Cl5	1.266	1.749
Cl6	-1.266	-1.749

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3390	1.3326	2.3337	1.7183	2.6965
C2	1.3390		2.3337	1.3326	2.6965	1.7183
F3	1.3326	2.3337		3.5568	2.5811	2.9984
F4	2.3337	1.3326	3.5568		2.9984	2.5811
Cl5	1.7183	2.6965	2.5811	2.9984		4.3190
Cl6	2.6965	1.7183	2.9984	2.5811	4.3190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.735	C1	C2	Cl6	123.288
C2	C1	F3	121.735	C2	C1	Cl5	123.288
F3	C1	Cl5	114.977	F4	C2	Cl6	114.977

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

using model chemistry: TPSSh/cc-pVDZ

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	0.132
2	C	0.132
3	F	-0.122
4	F	-0.122
5	Cl	-0.010
6	Cl	-0.010

	x	y	z
x	6.856	2.309	0.000
y	2.309	8.692	0.000
z	0.000	0.000	2.919

<r²>	248.963
(<r²>)^1/2	15.779