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	hartrees
Energy at 0K	-1753.775067
Energy at 298.15K	-1753.776942
HF Energy	-1752.541469
Nuclear repulsion energy	700.335206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1265	1205	55.20
2	A	1234	1175	214.47
3	A	1156	1101	201.55
4	A	1076	1025	96.45
5	A	925	881	186.24
6	A	829	789	265.86
7	A	661	629	10.24
8	A	539	513	3.26
9	A	467	445	1.33
10	A	449	428	0.39
11	A	402	383	0.45
12	A	358	341	0.39
13	A	319	304	0.53
14	A	294	280	0.12
15	A	248	236	0.14
16	A	202	192	1.23
17	A	168	160	0.82
18	A	74	71	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.152	0.314
C2	-0.720	-0.530	-0.231
F3	0.458	0.250	1.656
Cl4	1.969	-0.874	-0.073
Cl5	0.770	1.763	-0.387
Cl6	-2.163	0.382	0.230
F7	-0.648	-0.632	-1.565
F8	-0.798	-1.766	0.289

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5601	1.3506	1.7744	1.7681	2.7476	2.3738	2.3576
C2	1.5601		2.3569	2.7151	2.7391	1.7685	1.3395	1.3430
F3	1.3506	2.3569		2.5558	2.5616	2.9870	3.5175	2.7396
Cl4	1.7744	2.7151	2.5558		2.9136	4.3293	3.0223	2.9297
Cl5	1.7681	2.7391	2.5616	2.9136		3.3006	3.0223	3.9203
Cl6	2.7476	1.7685	2.9870	4.3293	3.3006		2.5580	2.5452
F7	2.3738	1.3395	3.5175	3.0223	3.0223	2.5580		2.1786
F8	2.3576	1.3430	2.7396	2.9297	3.9203	2.5452	2.1786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.116	C1	C2	F7	109.671
C1	C2	F8	108.372	C2	C1	F3	107.926
C2	C1	Cl4	108.858	C2	C1	Cl5	110.619
F3	C1	Cl4	108.988	F3	C1	Cl5	109.723
Cl4	C1	Cl5	110.665	Cl6	C2	F7	110.009
Cl6	C2	F8	109.004	F7	C2	F8	108.612

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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