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	hartrees
Energy at 0K	-1392.982182
Energy at 298.15K	-1392.984041
HF Energy	-1392.207879
Nuclear repulsion energy	593.324082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1285	1233	0.00
2	A_g	1058	1015	0.00
3	A_g	654	627	0.00
4	A_g	410	393	0.00
5	A_g	345	331	0.00
6	A_g	244	234	0.00
7	A_u	1210	1161	256.78
8	A_u	352	337	2.13
9	A_u	218	209	3.90
10	A_u	69	66	0.52
11	B_g	1210	1161	0.00
12	B_g	525	504	0.00
13	B_g	308	296	0.00
14	B_u	1120	1075	264.13
15	B_u	806	774	298.62
16	B_u	545	523	22.15
17	B_u	406	390	6.40
18	B_u	162	155	2.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.247	0.730	0.000
C2	0.247	-0.730	0.000
Cl3	-2.081	0.839	0.000
Cl4	2.081	-0.839	0.000
F5	0.247	1.375	1.131
F6	0.247	1.375	-1.131
F7	-0.247	-1.375	1.131
F8	-0.247	-1.375	-1.131

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5407	1.8378	2.8078	1.3925	1.3925	2.3891	2.3891
C2	1.5407		2.8078	1.8378	2.3891	2.3891	1.3925	1.3925
Cl3	1.8378	2.8078		4.4887	2.6433	2.6433	3.0898	3.0898
Cl4	2.8078	1.8378	4.4887		3.0898	3.0898	2.6433	2.6433
F5	1.3925	2.3891	2.6433	3.0898		2.2618	2.7935	3.5944
F6	1.3925	2.3891	2.6433	3.0898	2.2618		3.5944	2.7935
F7	2.3891	1.3925	3.0898	2.6433	2.7935	3.5944		2.2618
F8	2.3891	1.3925	3.0898	2.6433	3.5944	2.7935	2.2618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.122	C1	C2	F7	108.969
C1	C2	F8	108.969	C2	C1	Cl3	112.122
C2	C1	F5	108.969	C2	C1	F6	108.969
Cl3	C1	F5	109.052	Cl3	C1	F6	109.052
Cl4	C2	F7	109.052	Cl4	C2	F8	109.052
F5	C1	F6	108.612	F7	C2	F8	108.612

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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