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	hartrees
Energy at 0K	-1379.187884
Energy at 298.15K	-1379.188768
HF Energy	-1379.187884
Nuclear repulsion energy	579.760580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1242	1109	0.00
2	A_g	954	852	0.00
3	A_g	670	598	0.00
4	A_g	395	353	0.00
5	A_g	308	275	0.00
6	A_g	202	180	0.00
7	A_u	1346	1201	189.08
8	A_u	319	285	6.56
9	A_u	162	145	1.33
10	A_u	17	15	1.57
11	B_g	1381	1232	0.00
12	B_g	485	432	0.00
13	B_g	261	233	0.00
14	B_u	1197	1069	203.33
15	B_u	757	675	301.13
16	B_u	557	497	27.42
17	B_u	383	342	0.85
18	B_u	120	107	4.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.223	0.803	0.000
C2	0.223	-0.803	0.000
Cl3	-2.149	0.785	0.000
Cl4	2.149	-0.785	0.000
F5	0.223	1.446	1.131
F6	0.223	1.446	-1.131
F7	-0.223	-1.446	1.131
F8	-0.223	-1.446	-1.131

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.6668	1.9257	2.8541	1.3752	1.3752	2.5175	2.5175
C2	1.6668		2.8541	1.9257	2.5175	2.5175	1.3752	1.3752
Cl3	1.9257	2.8541		4.5750	2.7094	2.7094	3.1566	3.1566
Cl4	2.8541	1.9257	4.5750		3.1566	3.1566	2.7094	2.7094
F5	1.3752	2.5175	2.7094	3.1566		2.2615	2.9267	3.6986
F6	1.3752	2.5175	2.7094	3.1566	2.2615		3.6986	2.9267
F7	2.5175	1.3752	3.1566	2.7094	2.9267	3.6986		2.2615
F8	2.5175	1.3752	3.1566	2.7094	3.6986	2.9267	2.2615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	104.979	C1	C2	F7	111.340
C1	C2	F8	111.340	C2	C1	Cl3	104.979
C2	C1	F5	111.340	C2	C1	F6	111.340
Cl3	C1	F5	109.192	Cl3	C1	F6	109.192
Cl4	C2	F7	109.192	Cl4	C2	F8	109.192
F5	C1	F6	110.613	F7	C2	F8	110.613

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

using model chemistry: B3LYP/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	0.250
2	C	0.250
3	Cl	-0.189
4	Cl	-0.189
5	F	-0.031
6	F	-0.031
7	F	-0.031
8	F	-0.031

	x	y	z
x	6.791	-0.320	0.000
y	-0.320	2.524	0.000
z	0.000	0.000	2.544

<r²>	342.164
(<r²>)^1/2	18.498

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

using model chemistry: B3LYP/STO-3G

States and conformations

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