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	hartrees
Energy at 0K	-1386.476435
Energy at 298.15K	-1386.478598
HF Energy	-1385.696468
Nuclear repulsion energy	611.140432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1322	1235	0.00
2	A_g	1125	1051	0.00
3	A_g	705	659	0.00
4	A_g	450	420	0.00
5	A_g	361	337	0.00
6	A_g	274	256	0.00
7	A_u	1337	1249	253.21
8	A_u	377	352	2.83
9	A_u	213	199	3.77
10	A_u	62	58	0.49
11	B_g	1303	1217	0.00
12	B_g	546	511	0.00
13	B_g	326	305	0.00
14	B_u	1220	1140	304.25
15	B_u	881	823	376.68
16	B_u	597	558	22.48
17	B_u	436	407	5.81
18	B_u	177	165	3.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	0.726	0.000
C2	0.245	-0.726	0.000
Cl3	-1.997	0.798	0.000
Cl4	1.997	-0.798	0.000
F5	0.245	1.346	1.110
F6	0.245	1.346	-1.110
F7	-0.245	-1.346	1.110
F8	-0.245	-1.346	-1.110

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5316	1.7531	2.7102	1.3633	1.3633	2.3507	2.3507
C2	1.5316		2.7102	1.7531	2.3507	2.3507	1.3633	1.3633
Cl3	1.7531	2.7102		4.3002	2.5612	2.5612	2.9829	2.9829
Cl4	2.7102	1.7531	4.3002		2.9829	2.9829	2.5612	2.5612
F5	1.3633	2.3507	2.5612	2.9829		2.2207	2.7371	3.5247
F6	1.3633	2.3507	2.5612	2.9829	2.2207		3.5247	2.7371
F7	2.3507	1.3633	2.9829	2.5612	2.7371	3.5247		2.2207
F8	2.3507	1.3633	2.9829	2.5612	3.5247	2.7371	2.2207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.021	C1	C2	F7	108.445
C1	C2	F8	108.445	C2	C1	Cl3	111.021
C2	C1	F5	108.445	C2	C1	F6	108.445
Cl3	C1	F5	109.910	Cl3	C1	F6	109.910
Cl4	C2	F7	109.910	Cl4	C2	F8	109.910
F5	C1	F6	109.062	F7	C2	F8	109.062

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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