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	hartrees
Energy at 0K	-418.686884
Energy at 298.15K	-418.688189
HF Energy	-418.039506
Nuclear repulsion energy	335.641056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1154	1112	32.83
2	A	1038	999	178.49
3	A	992	955	170.34
4	A	969	933	41.75
5	A	846	815	148.81
6	A	756	728	189.19
7	A	574	553	8.15
8	A	480	462	5.37
9	A	415	400	2.48
10	A	398	383	1.74
11	A	362	348	2.66
12	A	324	312	1.07
13	A	292	281	0.50
14	A	270	260	0.19
15	A	230	221	0.25
16	A	190	183	2.76
17	A	155	149	1.17
18	A	67	65	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.587	0.146	0.296
C2	-0.735	-0.523	-0.225
F3	0.467	0.251	1.724
Cl4	2.052	-0.911	-0.074
Cl5	0.803	1.843	-0.388
Cl6	-2.261	0.383	0.239
F7	-0.670	-0.639	-1.642
F8	-0.820	-1.845	0.291

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5708	1.4371	1.8433	1.8425	2.8581	2.4396	2.4377
C2	1.5708		2.4177	2.8178	2.8267	1.8341	1.4228	1.4214
F3	1.4371	2.4177		2.6628	2.6663	3.1089	3.6627	2.8463
Cl4	1.8433	2.8178	2.6628		3.0400	4.5131	3.1532	3.0420
Cl5	1.8425	2.8267	2.6663	3.0400		3.4506	3.1466	4.0858
Cl6	2.8581	1.8341	3.1089	4.5131	3.4506		2.6667	2.6535
F7	2.4396	1.4228	3.6627	3.1532	3.1466	2.6667		2.2834
F8	2.4377	1.4214	2.8463	3.0420	4.0858	2.6535	2.2834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.931	C1	C2	F7	109.057
C1	C2	F8	109.011	C2	C1	F3	106.898
C2	C1	Cl4	110.996	C2	C1	Cl5	111.569
F3	C1	Cl4	107.889	F3	C1	Cl5	108.143
Cl4	C1	Cl5	111.139	Cl6	C2	F7	109.276
Cl6	C2	F8	108.523	F7	C2	F8	106.800

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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