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	hartrees
Energy at 0K	-1194.647964
Energy at 298.15K	-1194.648391
HF Energy	-1193.586642
Nuclear repulsion energy	346.298212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1739	1696
2	A_g	1163	1134
3	A_g	617	602
4	A_g	421	410
5	A_g	281	274
6	A_u	348	339
7	A_u	132	129
8	B_g	491	479
9	B_u	1177	1148
10	B_u	883	861
11	B_u	417	407
12	B_u	168	164

Atom	x (Å)	y (Å)
C1	-0.056	0.673
C2	0.056	-0.673
F3	-1.273	1.261
F4	1.273	-1.261
Cl5	1.273	1.762
Cl6	-1.273	-1.762

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3504	1.3513	2.3468	1.7190	2.7222
C2	1.3504		2.3468	1.3513	2.7222	1.7190
F3	1.3513	2.3468		3.5837	2.5950	3.0234
F4	2.3468	1.3513	3.5837		3.0234	2.5950
Cl5	1.7190	2.7222	2.5950	3.0234		4.3482
Cl6	2.7222	1.7190	3.0234	2.5950	4.3482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.601	C1	C2	Cl6	124.537
C2	C1	F3	120.601	C2	C1	Cl5	124.537
F3	C1	Cl5	114.862	F4	C2	Cl6	114.862

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

using model chemistry: MP4=FULL/aug-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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