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	hartrees
Energy at 0K	-1392.432418
Energy at 298.15K	-1392.434961
HF Energy	-1392.432418
Nuclear repulsion energy	618.688288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1467	1254	0.00
2	A_g	1214	1038	0.00
3	A_g	770	658	0.00
4	A_g	485	415	0.00
5	A_g	390	333	0.00
6	A_g	279	239	0.00
7	A_u	1391	1188	429.26
8	A_u	410	351	1.46
9	A_u	240	206	2.45
10	A_u	76	65	0.24
11	B_g	1386	1185	0.00
12	B_g	597	510	0.00
13	B_g	358	306	0.00
14	B_u	1294	1106	446.99
15	B_u	940	804	433.07
16	B_u	658	562	18.92
17	B_u	476	407	3.28
18	B_u	184	157	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.732	0.000
C2	0.237	-0.732	0.000
Cl3	-1.987	0.831	0.000
Cl4	1.987	-0.831	0.000
F5	0.237	1.335	1.070
F6	0.237	1.335	-1.070
F7	-0.237	-1.335	1.070
F8	-0.237	-1.335	-1.070

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5394	1.7531	2.7190	1.3164	1.3164	2.3276	2.3276
C2	1.5394		2.7190	1.7531	2.3276	2.3276	1.3164	1.3164
Cl3	1.7531	2.7190		4.3084	2.5192	2.5192	2.9834	2.9834
Cl4	2.7190	1.7531	4.3084		2.9834	2.9834	2.5192	2.5192
F5	1.3164	2.3276	2.5192	2.9834		2.1403	2.7111	3.4542
F6	1.3164	2.3276	2.5192	2.9834	2.1403		3.4542	2.7111
F7	2.3276	1.3164	2.9834	2.5192	2.7111	3.4542		2.1403
F8	2.3276	1.3164	2.9834	2.5192	3.4542	2.7111	2.1403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.176	C1	C2	F7	108.932
C1	C2	F8	108.932	C2	C1	Cl3	111.176
C2	C1	F5	108.932	C2	C1	F6	108.932
Cl3	C1	F5	109.495	Cl3	C1	F6	109.495
Cl4	C2	F7	109.495	Cl4	C2	F8	109.495
F5	C1	F6	108.771	F7	C2	F8	108.771

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

using model chemistry: ROHF/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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Number	Element	Mulliken
1	C	0.611
2	C	0.611
3	Cl	0.032
4	Cl	0.032
5	F	-0.322
6	F	-0.322
7	F	-0.322
8	F	-0.322

<r²>	307.386
(<r²>)^1/2	17.532

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

using model chemistry: ROHF/6-31G**

States and conformations

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