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	hartrees
Energy at 0K	-1194.952130
Energy at 298.15K	-1194.952668
HF Energy	-1193.689447
Nuclear repulsion energy	349.887698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1762	1671
2	A_g	1221	1158
3	A_g	640	607
4	A_g	428	406
5	A_g	289	274
6	A_u	366	347
7	A_u	134	127
8	B_g	529	502
9	B_u	1251	1187
10	B_u	890	844
11	B_u	426	404
12	B_u	176	167

Atom	x (Å)	y (Å)
C1	-0.064	0.665
C2	0.064	-0.665
F3	-1.260	1.241
F4	1.260	-1.241
Cl5	1.260	1.748
Cl6	-1.260	-1.748

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3368	1.3271	2.3209	1.7106	2.6935
C2	1.3368		2.3209	1.3271	2.6935	1.7106
F3	1.3271	2.3209		3.5367	2.5709	2.9887
F4	2.3209	1.3271	3.5367		2.9887	2.5709
Cl5	1.7106	2.6935	2.5709	2.9887		4.3099
Cl6	2.6935	1.7106	2.9887	2.5709	4.3099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.199	C1	C2	Cl6	123.759
C2	C1	F3	121.199	C2	C1	Cl5	123.759
F3	C1	Cl5	115.043	F4	C2	Cl6	115.043

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

using model chemistry: QCISD(T)/cc-pVTZ

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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