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	hartrees
Energy at 0K	-1753.676921
Energy at 298.15K	-1753.678857
HF Energy	-1752.457617
Nuclear repulsion energy	703.947052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1284	1200	50.48
2	A	1248	1166	171.73
3	A	1168	1092	182.37
4	A	1112	1039	86.05
5	A	957	894	195.98
6	A	851	796	250.02
7	A	662	619	10.28
8	A	544	508	4.67
9	A	475	444	1.50
10	A	454	424	0.63
11	A	405	379	0.98
12	A	363	339	0.38
13	A	323	301	0.51
14	A	302	282	0.12
15	A	255	238	0.12
16	A	207	193	1.24
17	A	172	161	0.76
18	A	79	74	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.574	0.153	0.300
C2	-0.716	-0.519	-0.225
F3	0.449	0.243	1.648
Cl4	1.948	-0.874	-0.078
Cl5	0.773	1.757	-0.377
Cl6	-2.151	0.384	0.218
F7	-0.643	-0.641	-1.562
F8	-0.788	-1.752	0.312

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5462	1.3576	1.7570	1.7524	2.7355	2.3617	2.3419
C2	1.5462		2.3342	2.6925	2.7244	1.7515	1.3449	1.3468
F3	1.3576	2.3342		2.5446	2.5494	2.9710	3.5047	2.7016
Cl4	1.7570	2.6925	2.5446		2.8973	4.2980	2.9955	2.9005
Cl5	1.7524	2.7244	2.5494	2.8973		3.2846	3.0271	3.9022
Cl6	2.7355	1.7515	2.9710	4.2980	3.2846		2.5479	2.5350
F7	2.3617	1.3449	3.5047	2.9955	3.0271	2.5479		2.1831
F8	2.3419	1.3468	2.7016	2.9005	3.9022	2.5350	2.1831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.944	C1	C2	F7	109.346
C1	C2	F8	107.897	C2	C1	F3	106.816
C2	C1	Cl4	109.028	C2	C1	Cl5	111.208
F3	C1	Cl4	108.896	F3	C1	Cl5	109.467
Cl4	C1	Cl5	111.299	Cl6	C2	F7	110.054
Cl6	C2	F8	109.111	F7	C2	F8	108.400

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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