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	hartrees
Energy at 0K	-1194.525858
Energy at 298.15K	-1194.526371
HF Energy	-1193.562678
Nuclear repulsion energy	347.150993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1756	1698
2	A_g	1214	1173
3	A_g	631	610
4	A_g	425	411
5	A_g	288	279
6	A_u	368	356
7	A_u	134	130
8	B_g	524	506
9	B_u	1236	1195
10	B_u	884	855
11	B_u	422	408
12	B_u	174	168

Atom	x (Å)	y (Å)
C1	-0.067	0.672
C2	0.067	-0.672
F3	-1.272	1.254
F4	1.272	-1.254
Cl5	1.272	1.757
Cl6	-1.272	-1.757

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3509	1.3374	2.3456	1.7235	2.7112
C2	1.3509		2.3456	1.3374	2.7112	1.7235
F3	1.3374	2.3456		3.5716	2.5928	3.0107
F4	2.3456	1.3374	3.5716		3.0107	2.5928
Cl5	1.7235	2.7112	2.5928	3.0107		4.3379
Cl6	2.7112	1.7235	3.0107	2.5928	4.3379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.504	C1	C2	Cl6	123.289
C2	C1	F3	121.504	C2	C1	Cl5	123.289
F3	C1	Cl5	115.207	F4	C2	Cl6	115.207

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

using model chemistry: MP4/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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