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	hartrees
Energy at 0K	-1753.628672
Energy at 298.15K	-1753.630572
HF Energy	-1752.457351
Nuclear repulsion energy	703.034549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1281	1208	51.35
2	A	1246	1175	168.80
3	A	1166	1100	185.12
4	A	1110	1047	85.40
5	A	956	901	197.66
6	A	850	801	251.16
7	A	661	623	10.32
8	A	543	512	4.71
9	A	474	447	1.52
10	A	452	427	0.61
11	A	404	381	0.95
12	A	362	341	0.38
13	A	321	303	0.51
14	A	301	284	0.12
15	A	254	239	0.12
16	A	206	194	1.24
17	A	172	162	0.75
18	A	78	74	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.588	0.226	0.269
C2	-0.713	-0.514	-0.205
F3	0.459	0.283	1.634
Cl4	1.940	-0.867	-0.085
Cl5	0.771	1.720	-0.387
Cl6	-2.164	0.380	0.191
F7	-0.649	-0.702	-1.534
F8	-0.760	-1.716	0.389

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5693	1.3718	1.7743	1.6429	2.7566	2.3752	2.3670
C2	1.5693		2.3219	2.6785	2.6882	1.7495	1.3431	1.3421
F3	1.3718	2.3219		2.5433	2.4999	2.9953	3.4976	2.6523
Cl4	1.7743	2.6785	2.5433		2.8551	4.2974	2.9712	2.8699
Cl5	1.6429	2.6882	2.4999	2.8551		3.2777	3.0332	3.8417
Cl6	2.7566	1.7495	2.9953	4.2974	3.2777		2.5373	2.5303
F7	2.3752	1.3431	3.4976	2.9712	3.0332	2.5373		2.1764
F8	2.3670	1.3421	2.6523	2.8699	3.8417	2.5303	2.1764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.205	C1	C2	F7	109.032
C1	C2	F8	108.528	C2	C1	F3	104.068
C2	C1	Cl4	106.307	C2	C1	Cl5	113.603
F3	C1	Cl4	107.189	F3	C1	Cl5	111.729
Cl4	C1	Cl5	113.287	Cl6	C2	F7	109.558
Cl6	C2	F8	109.147	F7	C2	F8	108.288

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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