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	hartrees
Energy at 0K	-1392.997190
Energy at 298.15K	-1392.998995
HF Energy	-1392.206516
Nuclear repulsion energy	592.029689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1272	1226	0.00
2	A_g	1040	1002	0.00
3	A_g	645	622	0.00
4	A_g	405	390	0.00
5	A_g	342	329	0.00
6	A_g	242	233	0.00
7	A_u	1191	1148	261.44
8	A_u	348	335	2.11
9	A_u	217	209	3.91
10	A_u	67	65	0.47
11	B_g	1188	1145	0.00
12	B_g	520	501	0.00
13	B_g	305	294	0.00
14	B_u	1103	1063	265.73
15	B_u	796	767	309.12
16	B_u	538	519	21.40
17	B_u	402	387	5.45
18	B_u	160	155	2.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.247	0.730	0.000
C2	0.247	-0.730	0.000
Cl3	-2.086	0.839	0.000
Cl4	2.086	-0.839	0.000
F5	0.247	1.377	1.134
F6	0.247	1.377	-1.134
F7	-0.247	-1.377	1.134
F8	-0.247	-1.377	-1.134

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5415	1.8421	2.8120	1.3965	1.3965	2.3934	2.3934
C2	1.5415		2.8120	1.8421	2.3934	2.3934	1.3965	1.3965
Cl3	1.8421	2.8120		4.4972	2.6496	2.6496	3.0955	3.0955
Cl4	2.8120	1.8421	4.4972		3.0955	3.0955	2.6496	2.6496
F5	1.3965	2.3934	2.6496	3.0955		2.2684	2.7990	3.6028
F6	1.3965	2.3934	2.6496	3.0955	2.2684		3.6028	2.7990
F7	2.3934	1.3965	3.0955	2.6496	2.7990	3.6028		2.2684
F8	2.3934	1.3965	3.0955	2.6496	3.6028	2.7990	2.2684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.106	C1	C2	F7	109.001
C1	C2	F8	109.001	C2	C1	Cl3	112.106
C2	C1	F5	109.001	C2	C1	F6	109.001
Cl3	C1	F5	109.023	Cl3	C1	F6	109.023
Cl4	C2	F7	109.023	Cl4	C2	F8	109.023
F5	C1	F6	108.626	F7	C2	F8	108.626

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

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 CF2ClCF2Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

using model chemistry: QCISD/6-31G

States and conformations

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)