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	hartrees
Energy at 0K	-1394.105206
Energy at 298.15K	-1394.107478
HF Energy	-1392.469665
Nuclear repulsion energy	619.222860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1365	1283	0.00
2	A_g	1101	1035	0.00
3	A_g	727	684	0.00
4	A_g	460	432	0.00
5	A_g	372	350	0.00
6	A_g	265	249	0.00
7	A_u	1286	1209	313.37
8	A_u	383	360	0.68
9	A_u	221	207	1.42
10	A_u	80	75	0.08
11	B_g	1260	1184	0.00
12	B_g	558	525	0.00
13	B_g	331	312	0.00
14	B_u	1203	1131	329.19
15	B_u	877	824	362.95
16	B_u	623	585	11.81
17	B_u	450	423	1.21
18	B_u	173	162	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	0.731	0.000
C2	0.235	-0.731	0.000
Cl3	-1.984	0.786	0.000
Cl4	1.984	-0.786	0.000
F5	0.235	1.334	1.081
F6	0.235	1.334	-1.081
F7	-0.235	-1.334	1.081
F8	-0.235	-1.334	-1.081

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5354	1.7503	2.6875	1.3240	1.3240	2.3308	2.3308
C2	1.5354		2.6875	1.7503	2.3308	2.3308	1.3240	1.3240
Cl3	1.7503	2.6875		4.2679	2.5284	2.5284	2.9532	2.9532
Cl4	2.6875	1.7503	4.2679		2.9532	2.9532	2.5284	2.5284
F5	1.3240	2.3308	2.5284	2.9532		2.1628	2.7085	3.4661
F6	1.3240	2.3308	2.5284	2.9532	2.1628		3.4661	2.7085
F7	2.3308	1.3240	2.9532	2.5284	2.7085	3.4661		2.1628
F8	2.3308	1.3240	2.9532	2.5284	3.4661	2.7085	2.1628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	109.584	C1	C2	F7	108.975
C1	C2	F8	108.975	C2	C1	Cl3	109.584
C2	C1	F5	108.975	C2	C1	F6	108.975
Cl3	C1	F5	109.881	Cl3	C1	F6	109.881
Cl4	C2	F7	109.881	Cl4	C2	F8	109.881
F5	C1	F6	109.523	F7	C2	F8	109.523

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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