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	hartrees
Energy at 0K	-1194.540687
Energy at 298.15K	-1194.541221
HF Energy	-1193.563431
Nuclear repulsion energy	347.746437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1775	1709
2	A_g	1228	1183
3	A_g	636	613
4	A_g	427	412
5	A_g	290	279
6	A_u	369	356
7	A_u	135	130
8	B_g	529	510
9	B_u	1248	1202
10	B_u	889	856
11	B_u	425	409
12	B_u	176	169

Atom	x (Å)	y (Å)
C1	-0.067	0.670
C2	0.067	-0.670
F3	-1.269	1.250
F4	1.269	-1.250
Cl5	1.269	1.756
Cl6	-1.269	-1.756

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3475	1.3344	2.3396	1.7214	2.7077
C2	1.3475		2.3396	1.3344	2.7077	1.7214
F3	1.3344	2.3396		3.5627	2.5877	3.0062
F4	2.3396	1.3344	3.5627		3.0062	2.5877
Cl5	1.7214	2.7077	2.5877	3.0062		4.3329
Cl6	2.7077	1.7214	3.0062	2.5877	4.3329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.467	C1	C2	Cl6	123.382
C2	C1	F3	121.467	C2	C1	Cl5	123.382
F3	C1	Cl5	115.151	F4	C2	Cl6	115.151

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

using model chemistry: CCSD(T)=FULL/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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