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	hartrees
Energy at 0K	-1394.180041
Energy at 298.15K	-1394.182342
HF Energy	-1392.603956
Nuclear repulsion energy	614.777295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1329	1261	0.00
2	A_g	1106	1050	0.00
3	A_g	719	682	0.00
4	A_g	461	437	0.00
5	A_g	368	349	0.00
6	A_g	266	252	0.00
7	A_u	1239	1175	405.02
8	A_u	392	372	0.55
9	A_u	231	219	2.08
10	A_u	74	70	0.29
11	B_g	1227	1164	0.00
12	B_g	557	528	0.00
13	B_g	339	322	0.00
14	B_u	1174	1114	405.45
15	B_u	884	838	389.08
16	B_u	619	587	13.66
17	B_u	452	429	1.68
18	B_u	178	168	1.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	0.735	0.000
C2	0.240	-0.735	0.000
Cl3	-1.991	0.814	0.000
Cl4	1.991	-0.814	0.000
F5	0.240	1.348	1.086
F6	0.240	1.348	-1.086
F7	-0.240	-1.348	1.086
F8	-0.240	-1.348	-1.086

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5465	1.7526	2.7162	1.3361	1.3361	2.3488	2.3488
C2	1.5465		2.7162	1.7526	2.3488	2.3488	1.3361	1.3361
Cl3	1.7526	2.7162		4.3020	2.5381	2.5381	2.9863	2.9863
Cl4	2.7162	1.7526	4.3020		2.9863	2.9863	2.5381	2.5381
F5	1.3361	2.3488	2.5381	2.9863		2.1716	2.7380	3.4947
F6	1.3361	2.3488	2.5381	2.9863	2.1716		3.4947	2.7380
F7	2.3488	1.3361	2.9863	2.5381	2.7380	3.4947		2.1716
F8	2.3488	1.3361	2.9863	2.5381	3.4947	2.7380	2.1716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.682	C1	C2	F7	108.921
C1	C2	F8	108.921	C2	C1	Cl3	110.682
C2	C1	F5	108.921	C2	C1	F6	108.921
Cl3	C1	F5	109.784	Cl3	C1	F6	109.784
Cl4	C2	F7	109.784	Cl4	C2	F8	109.784
F5	C1	F6	108.711	F7	C2	F8	108.711

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

using model chemistry: MP2=FULL/6-311G**

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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All results from a given calculation for CF2ClCF2Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

using model chemistry: MP2=FULL/6-311G**

States and conformations

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)