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	hartrees
Energy at 0K	-1195.073244
Energy at 298.15K	-1195.073822
HF Energy	-1193.690254
Nuclear repulsion energy	351.012102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1780	1704
2	A_g	1227	1174
3	A_g	644	617
4	A_g	432	413
5	A_g	291	279
6	A_u	372	356
7	A_u	135	129
8	B_g	551	527
9	B_u	1256	1202
10	B_u	898	859
11	B_u	430	412
12	B_u	177	169

Atom	x (Å)	y (Å)
C1	-0.063	0.662
C2	0.063	-0.662
F3	-1.256	1.237
F4	1.256	-1.237
Cl5	1.256	1.742
Cl6	-1.256	-1.742

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3308	1.3242	2.3125	1.7051	2.6843
C2	1.3308		2.3125	1.3242	2.6843	1.7051
F3	1.3242	2.3125		3.5258	2.5632	2.9788
F4	2.3125	1.3242	3.5258		2.9788	2.5632
Cl5	1.7051	2.6843	2.5632	2.9788		4.2959
Cl6	2.6843	1.7051	2.9788	2.5632	4.2959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.147	C1	C2	Cl6	123.842
C2	C1	F3	121.147	C2	C1	Cl5	123.842
F3	C1	Cl5	115.011	F4	C2	Cl6	115.011

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

using model chemistry: QCISD(T)=FULL/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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