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	hartrees
Energy at 0K	-1753.672240
Energy at 298.15K	-1753.674166
HF Energy	-1752.457508
Nuclear repulsion energy	701.903314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1295	1219	51.23
2	A	1264	1190	163.77
3	A	1182	1113	184.87
4	A	1126	1060	81.61
5	A	962	906	188.74
6	A	851	801	236.59
7	A	662	623	10.37
8	A	542	511	5.08
9	A	473	445	1.52
10	A	452	426	1.03
11	A	404	380	1.29
12	A	361	340	0.47
13	A	322	303	0.52
14	A	300	283	0.14
15	A	253	238	0.13
16	A	206	194	1.27
17	A	171	161	0.74
18	A	78	73	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.575	0.151	0.300
C2	-0.720	-0.518	-0.225
F3	0.452	0.241	1.649
Cl4	1.955	-0.881	-0.078
Cl5	0.783	1.763	-0.376
Cl6	-2.162	0.386	0.218
F7	-0.648	-0.640	-1.562
F8	-0.795	-1.752	0.309

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5495	1.3574	1.7644	1.7600	2.7480	2.3641	2.3451
C2	1.5495		2.3370	2.7038	2.7359	1.7582	1.3451	1.3468
F3	1.3574	2.3370		2.5496	2.5544	2.9832	3.5068	2.7061
Cl4	1.7644	2.7038	2.5496		2.9073	4.3175	3.0058	2.9105
Cl5	1.7600	2.7359	2.5544	2.9073		3.3046	3.0375	3.9133
Cl6	2.7480	1.7582	2.9832	4.3175	3.3046		2.5525	2.5393
F7	2.3641	1.3451	3.5068	3.0058	3.0375	2.5525		2.1822
F8	2.3451	1.3468	2.7061	2.9105	3.9133	2.5393	2.1822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.206	C1	C2	F7	109.310
C1	C2	F8	107.926	C2	C1	F3	106.826
C2	C1	Cl4	109.183	C2	C1	Cl5	111.356
F3	C1	Cl4	108.818	F3	C1	Cl5	109.371
Cl4	C1	Cl5	111.160	Cl6	C2	F7	109.964
Cl6	C2	F8	109.018	F7	C2	F8	108.319

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

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

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