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	hartrees
Energy at 0K	-1378.986993
Energy at 298.15K	-1378.987553
HF Energy	-1378.986993
Nuclear repulsion energy	570.394618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1180	1092	0.00
2	A_g	865	800	0.00
3	A_g	635	587	0.00
4	A_g	365	338	0.00
5	A_g	288	266	0.00
6	A_g	185	171	0.00
7	A_u	1298	1201	189.76
8	A_u	298	276	5.17
9	A_u	152	141	0.91
10	A_u	12	11	2.14
11	B_g	1330	1231	0.00
12	B_g	454	420	0.00
13	B_g	244	226	0.00
14	B_u	1151	1065	193.06
15	B_u	693	641	296.95
16	B_u	536	496	23.46
17	B_u	359	332	3.35
18	B_u	111	102	4.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.222	0.820	0.000
C2	0.222	-0.820	0.000
Cl3	-2.194	0.796	0.000
Cl4	2.194	-0.796	0.000
F5	0.222	1.470	1.142
F6	0.222	1.470	-1.142
F7	-0.222	-1.470	1.142
F8	-0.222	-1.470	-1.142

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.6994	1.9728	2.9069	1.3869	1.3869	2.5591	2.5591
C2	1.6994		2.9069	1.9728	2.5591	2.5591	1.3869	1.3869
Cl3	1.9728	2.9069		4.6686	2.7563	2.7563	3.2139	3.2139
Cl4	2.9069	1.9728	4.6686		3.2139	3.2139	2.7563	2.7563
F5	1.3869	2.5591	2.7563	3.2139		2.2849	2.9725	3.7492
F6	1.3869	2.5591	2.7563	3.2139	2.2849		3.7492	2.9725
F7	2.5591	1.3869	3.2139	2.7563	2.9725	3.7492		2.2849
F8	2.5591	1.3869	3.2139	2.7563	3.7492	2.9725	2.2849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	104.423	C1	C2	F7	111.622
C1	C2	F8	111.622	C2	C1	Cl3	104.423
C2	C1	F5	111.622	C2	C1	F6	111.622
Cl3	C1	F5	109.000	Cl3	C1	F6	109.000
Cl4	C2	F7	109.000	Cl4	C2	F8	109.000
F5	C1	F6	110.919	F7	C2	F8	110.919

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

using model chemistry: BLYP/STO-3G

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	0.215
2	C	0.215
3	Cl	-0.207
4	Cl	-0.207
5	F	-0.004
6	F	-0.004
7	F	-0.004
8	F	-0.004

	x	y	z
x	7.407	-0.469	0.000
y	-0.469	2.853	0.000
z	0.000	0.000	2.741

<r²>	353.086
(<r²>)^1/2	18.791

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

using model chemistry: BLYP/STO-3G

States and conformations

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