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	hartrees
Energy at 0K	-1386.246721
Energy at 298.15K	-1386.248436
HF Energy	-1385.468314
Nuclear repulsion energy	594.789368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1281	1242	0.00
2	A_g	1019	988	0.00
3	A_g	662	642	0.00
4	A_g	376	364	0.00
5	A_g	348	337	0.00
6	A_g	243	235	0.00
7	A_u	1307	1267	246.11
8	A_u	327	317	4.02
9	A_u	202	196	4.90
10	A_u	57	56	0.01
11	B_g	1277	1237	0.00
12	B_g	508	492	0.00
13	B_g	289	281	0.00
14	B_u	1169	1133	271.72
15	B_u	768	744	344.20
16	B_u	562	545	22.18
17	B_u	380	368	0.61
18	B_u	157	152	3.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.228	0.730	0.000
C2	0.228	-0.730	0.000
Cl3	-2.114	0.776	0.000
Cl4	2.114	-0.776	0.000
F5	0.228	1.362	1.123
F6	0.228	1.362	-1.123
F7	-0.228	-1.362	1.123
F8	-0.228	-1.362	-1.123

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5299	1.8860	2.7841	1.3672	1.3672	2.3745	2.3745
C2	1.5299		2.7841	1.8860	2.3745	2.3745	1.3672	1.3672
Cl3	1.8860	2.7841		4.5029	2.6627	2.6627	3.0635	3.0635
Cl4	2.7841	1.8860	4.5029		3.0635	3.0635	2.6627	2.6627
F5	1.3672	2.3745	2.6627	3.0635		2.2467	2.7616	3.5601
F6	1.3672	2.3745	2.6627	3.0635	2.2467		3.5601	2.7616
F7	2.3745	1.3672	3.0635	2.6627	2.7616	3.5601		2.2467
F8	2.3745	1.3672	3.0635	2.6627	3.5601	2.7616	2.2467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	108.737	C1	C2	F7	109.963
C1	C2	F8	109.963	C2	C1	Cl3	108.737
C2	C1	F5	109.963	C2	C1	F6	109.963
Cl3	C1	F5	108.820	Cl3	C1	F6	108.820
Cl4	C2	F7	108.820	Cl4	C2	F8	108.820
F5	C1	F6	110.499	F7	C2	F8	110.499

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

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

using model chemistry: QCISD/3-21G

States and conformations

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