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	hartrees
Energy at 0K	-1732.851836
Energy at 298.15K	-1732.852827
HF Energy	-1732.650768
Nuclear repulsion energy	672.251357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1403	1247	36.64
2	A	1326	1178	65.20
3	A	1256	1117	108.06
4	A	1088	967	23.69
5	A	979	870	139.33
6	A	830	738	190.14
7	A	645	573	16.36
8	A	510	453	15.79
9	A	451	401	4.03
10	A	426	379	0.27
11	A	379	337	1.57
12	A	328	292	3.81
13	A	286	255	0.80
14	A	262	233	0.64
15	A	212	188	0.77
16	A	170	151	2.26
17	A	136	121	1.88
18	A	38	34	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.583	0.154	0.364
C2	-0.749	-0.542	-0.311
F3	0.430	0.322	1.715
Cl4	2.026	-0.973	0.028
Cl5	0.868	1.794	-0.456
Cl6	-2.246	0.361	0.371
F7	-0.719	-0.424	-1.681
F8	-0.823	-1.872	0.038

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.6475	1.3696	1.8615	1.8557	2.8369	2.4918	2.4875
C2	1.6475		2.4982	2.8292	2.8445	1.8769	1.3744	1.3772
F3	1.3696	2.4982		2.6583	2.6590	2.9952	3.6611	3.0322
Cl4	1.8615	2.8292	2.6583		3.0386	4.4892	3.2800	2.9881
Cl5	1.8557	2.8445	2.6590	3.0386		3.5263	2.9899	4.0673
Cl6	2.8369	1.8769	2.9952	4.4892	3.5263		2.6755	2.6688
F7	2.4918	1.3744	3.6611	3.2800	2.9899	2.6755		2.2491
F8	2.4875	1.3772	3.0322	2.9881	4.0673	2.6688	2.2491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.030	C1	C2	F7	110.767
C1	C2	F8	110.330	C2	C1	F3	111.457
C2	C1	Cl4	107.305	C2	C1	Cl5	108.434
F3	C1	Cl4	109.775	F3	C1	Cl5	110.148
Cl4	C1	Cl5	109.660	Cl6	C2	F7	109.785
Cl6	C2	F8	109.234	F7	C2	F8	109.648

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: MP2=FULL/STO-3G

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 CF2ClCFCl2 (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)