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	hartrees
Energy at 0K	-127.063008
Energy at 298.15K	-127.064392
HF Energy	-126.392395
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1160	1132	30.94
2	A	1037	1013	145.96
3	A	990	966	170.80
4	A	973	950	54.86
5	A	855	835	166.62
6	A	762	744	193.33
7	A	573	559	7.90
8	A	477	466	6.35
9	A	418	408	2.46
10	A	402	392	2.22
11	A	361	352	3.71
12	A	323	315	0.74
13	A	290	283	0.64
14	A	270	264	0.12
15	A	228	223	0.15
16	A	190	185	2.20
17	A	154	150	0.98
18	A	70	69	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.591	0.153	0.292
C2	-0.733	-0.529	-0.224
F3	0.465	0.252	1.726
Cl4	2.059	-0.905	-0.077
Cl5	0.786	1.858	-0.386
Cl6	-2.264	0.374	0.233
F7	-0.663	-0.658	-1.644
F8	-0.805	-1.850	0.307

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5765	1.4425	1.8471	1.8453	2.8635	2.4450	2.4416
C2	1.5765		2.4185	2.8213	2.8342	1.8349	1.4270	1.4261
F3	1.4425	2.4185		2.6701	2.6729	3.1127	3.6681	2.8362
Cl4	1.8471	2.8213	2.6701		3.0579	4.5185	3.1499	3.0400
Cl5	1.8453	2.8342	2.6729	3.0579		3.4476	3.1645	4.0943
Cl6	2.8635	1.8349	3.1127	4.5185	3.4476		2.6744	2.6613
F7	2.4450	1.4270	3.6681	3.1499	3.1645	2.6744		2.2903
F8	2.4416	1.4261	2.8362	3.0400	4.0943	2.6613	2.2903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.939	C1	C2	F7	108.887
C1	C2	F8	108.713	C2	C1	F3	106.386
C2	C1	Cl4	110.745	C2	C1	Cl5	111.602
F3	C1	Cl4	107.887	F3	C1	Cl5	108.149
Cl4	C1	Cl5	111.816	Cl6	C2	F7	109.519
Cl6	C2	F8	108.748	F7	C2	F8	106.789

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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