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	hartrees
Energy at 0K	-1395.789272
Energy at 298.15K	-1395.791369
HF Energy	-1395.789272
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1323	1255	0.00
2	A_g	1090	1034	0.00
3	A_g	715	678	0.00
4	A_g	443	420	0.00
5	A_g	360	341	0.00
6	A_g	256	243	0.00
7	A_u	1276	1210	386.80
8	A_u	377	358	1.01
9	A_u	219	208	1.80
10	A_u	59	56	0.06
11	B_g	1268	1203	0.00
12	B_g	550	522	0.00
13	B_g	325	309	0.00
14	B_u	1193	1131	373.61
15	B_u	855	811	412.72
16	B_u	612	580	14.54
17	B_u	437	415	0.35
18	B_u	168	160	1.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	0.744	0.000
C2	0.235	-0.744	0.000
Cl3	-2.006	0.828	0.000
Cl4	2.006	-0.828	0.000
F5	0.235	1.353	1.087
F6	0.235	1.353	-1.087
F7	-0.235	-1.353	1.087
F8	-0.235	-1.353	-1.087

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5610	1.7729	2.7381	1.3320	1.3320	2.3622	2.3622
C2	1.5610		2.7381	1.7729	2.3622	2.3622	1.3320	1.3320
Cl3	1.7729	2.7381		4.3410	2.5459	2.5459	3.0127	3.0127
Cl4	2.7381	1.7729	4.3410		3.0127	3.0127	2.5459	2.5459
F5	1.3320	2.3622	2.5459	3.0127		2.1749	2.7462	3.5031
F6	1.3320	2.3622	2.5459	3.0127	2.1749		3.5031	2.7462
F7	2.3622	1.3320	3.0127	2.5459	2.7462	3.5031		2.1749
F8	2.3622	1.3320	3.0127	2.5459	3.5031	2.7462	2.1749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.267	C1	C2	F7	109.217
C1	C2	F8	109.217	C2	C1	Cl3	110.267
C2	C1	F5	109.217	C2	C1	F6	109.217
Cl3	C1	F5	109.340	Cl3	C1	F6	109.340
Cl4	C2	F7	109.340	Cl4	C2	F8	109.340
F5	C1	F6	109.446	F7	C2	F8	109.446

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

using model chemistry: wB97X-D/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	0.429
2	C	0.429
3	Cl	0.027
4	Cl	0.027
5	F	-0.228
6	F	-0.228
7	F	-0.228
8	F	-0.228

	x	y	z
x	9.019	-0.755	0.000
y	-0.755	5.048	0.000
z	0.000	0.000	4.808

<r²>	312.395
(<r²>)^1/2	17.675

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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