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	hartrees
Energy at 0K	-1745.164181
Energy at 298.15K	-1745.165839
HF Energy	-1744.177896
Nuclear repulsion energy	695.567183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1247	1182	108.36
2	A	1199	1136	57.96
3	A	1142	1083	116.76
4	A	1038	984	61.89
5	A	875	829	169.43
6	A	800	758	261.65
7	A	626	593	13.44
8	A	515	488	4.91
9	A	447	423	3.51
10	A	424	402	0.51
11	A	380	360	1.14
12	A	343	325	1.12
13	A	306	290	0.66
14	A	289	274	0.27
15	A	249	236	0.21
16	A	199	189	2.65
17	A	169	160	1.82
18	A	65	62	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.565	0.148	0.314
C2	-0.719	-0.504	-0.266
F3	0.401	0.253	1.693
Cl4	1.960	-0.900	-0.029
Cl5	0.800	1.756	-0.389
Cl6	-2.163	0.356	0.285
F7	-0.648	-0.490	-1.640
F8	-0.780	-1.814	0.167

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5531	1.3922	1.7779	1.7705	2.7361	2.3871	2.3831
C2	1.5531		2.3800	2.7188	2.7260	1.7682	1.3761	1.3804
F3	1.3922	2.3800		2.5929	2.5981	2.9265	3.5720	2.8273
Cl4	1.7779	2.7188	2.5929		2.9204	4.3212	3.0929	2.8950
Cl5	1.7705	2.7260	2.5981	2.9204		3.3457	2.9505	3.9428
Cl6	2.7361	1.7682	2.9265	4.3212	3.3457		2.5916	2.5750
F7	2.3871	1.3761	3.5720	3.0929	2.9505	2.5916		2.2439
F8	2.3831	1.3804	2.8273	2.8950	3.9428	2.5750	2.2439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.771	C1	C2	F7	109.011
C1	C2	F8	108.515	C2	C1	F3	107.695
C2	C1	Cl4	109.227	C2	C1	Cl5	110.040
F3	C1	Cl4	109.150	F3	C1	Cl5	109.891
Cl4	C1	Cl5	110.776	Cl6	C2	F7	110.399
Cl6	C2	F8	109.117	F7	C2	F8	108.985

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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