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	hartrees
Energy at 0K	-1745.163477
Energy at 298.15K	-1745.165110
HF Energy	-1744.177662
Nuclear repulsion energy	694.285236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1256	1207	100.02
2	A	1203	1156	54.56
3	A	1149	1104	111.93
4	A	1044	1003	55.21
5	A	880	845	152.64
6	A	797	766	230.77
7	A	623	598	12.80
8	A	512	492	5.11
9	A	443	425	3.24
10	A	421	405	0.89
11	A	377	362	1.59
12	A	341	327	1.26
13	A	304	292	0.67
14	A	286	275	0.25
15	A	247	237	0.22
16	A	198	190	2.61
17	A	168	162	1.69
18	A	65	62	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.566	0.147	0.314
C2	-0.721	-0.503	-0.267
F3	0.400	0.251	1.692
Cl4	1.964	-0.906	-0.027
Cl5	0.807	1.761	-0.387
Cl6	-2.171	0.354	0.286
F7	-0.649	-0.485	-1.641
F8	-0.782	-1.813	0.161

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5550	1.3917	1.7830	1.7758	2.7454	2.3869	2.3843
C2	1.5550		2.3801	2.7262	2.7338	1.7728	1.3758	1.3798
F3	1.3917	2.3801		2.5963	2.6007	2.9324	3.5707	2.8293
Cl4	1.7830	2.7262	2.5963		2.9294	4.3344	3.1001	2.8988
Cl5	1.7758	2.7338	2.6007	2.9294		3.3612	2.9552	3.9496
Cl6	2.7454	1.7728	2.9324	4.3344	3.3612		2.5948	2.5772
F7	2.3869	1.3758	3.5707	3.1001	2.9552	2.5948		2.2429
F8	2.3843	1.3798	2.8293	2.8988	3.9496	2.5772	2.2429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.006	C1	C2	F7	108.908
C1	C2	F8	108.519	C2	C1	F3	107.615
C2	C1	Cl4	109.323	C2	C1	Cl5	110.145
F3	C1	Cl4	109.107	F3	C1	Cl5	109.786
Cl4	C1	Cl5	110.799	Cl6	C2	F7	110.367
Cl6	C2	F8	109.028	F7	C2	F8	108.968

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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