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	hartrees
Energy at 0K	-1752.999972
Energy at 298.15K	-1753.001246
HF Energy	-1752.302746
Nuclear repulsion energy	670.548949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1151	1111	33.56
2	A	1036	1000	167.73
3	A	990	956	163.02
4	A	967	933	41.21
5	A	842	813	147.22
6	A	752	726	188.64
7	A	573	553	7.69
8	A	477	460	5.01
9	A	412	398	2.25
10	A	393	380	1.69
11	A	358	346	2.59
12	A	321	310	0.97
13	A	290	280	0.50
14	A	268	259	0.14
15	A	228	220	0.21
16	A	189	182	2.58
17	A	154	149	1.11
18	A	67	65	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.585	0.145	0.300
C2	-0.731	-0.528	-0.230
F3	0.462	0.249	1.728
Cl4	2.066	-0.904	-0.069
Cl5	0.792	1.851	-0.389
Cl6	-2.269	0.372	0.246
F7	-0.665	-0.629	-1.648
F8	-0.812	-1.855	0.273

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5702	1.4369	1.8523	1.8514	2.8630	2.4407	2.4404
C2	1.5702		2.4211	2.8266	2.8288	1.8440	1.4229	1.4220
F3	1.4369	2.4211		2.6705	2.6752	3.1097	3.6659	2.8584
Cl4	1.8523	2.8266	2.6705		3.0526	4.5294	3.1667	3.0505
Cl5	1.8514	2.8288	2.6752	3.0526		3.4576	3.1394	4.0925
Cl6	2.8630	1.8440	3.1097	4.5294	3.4576		2.6753	2.6612
F7	2.4407	1.4229	3.6659	3.1667	3.1394	2.6753		2.2839
F8	2.4404	1.4220	2.8584	3.0505	4.0925	2.6612	2.2839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.737	C1	C2	F7	109.162
C1	C2	F8	109.189	C2	C1	F3	107.160
C2	C1	Cl4	111.089	C2	C1	Cl5	111.268
F3	C1	Cl4	107.894	F3	C1	Cl5	108.233
Cl4	C1	Cl5	111.017	Cl6	C2	F7	109.277
Cl6	C2	F8	108.448	F7	C2	F8	106.797

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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