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	hartrees
Energy at 0K	-1395.292597
Energy at 298.15K	-1395.294439
HF Energy	-1395.292597
Nuclear repulsion energy	605.839236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1211	1198	0.00
2	A_g	983	973	0.00
3	A_g	678	671	0.00
4	A_g	413	409	0.00
5	A_g	343	340	0.00
6	A_g	241	239	0.00
7	A_u	1154	1142	417.09
8	A_u	361	358	0.44
9	A_u	211	209	1.85
10	A_u	56	56	0.08
11	B_g	1138	1127	0.00
12	B_g	519	514	0.00
13	B_g	310	307	0.00
14	B_u	1095	1083	375.71
15	B_u	787	779	448.92
16	B_u	586	580	11.06
17	B_u	414	409	0.52
18	B_u	160	158	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	0.747	0.000
C2	0.238	-0.747	0.000
Cl3	-2.027	0.832	0.000
Cl4	2.027	-0.832	0.000
F5	0.238	1.368	1.096
F6	0.238	1.368	-1.096
F7	-0.238	-1.368	1.096
F8	-0.238	-1.368	-1.096

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5676	1.7914	2.7613	1.3468	1.3468	2.3820	2.3820
C2	1.5676		2.7613	1.7914	2.3820	2.3820	1.3468	1.3468
Cl3	1.7914	2.7613		4.3830	2.5729	2.5729	3.0405	3.0405
Cl4	2.7613	1.7914	4.3830		3.0405	3.0405	2.5729	2.5729
F5	1.3468	2.3820	2.5729	3.0405		2.1924	2.7770	3.5382
F6	1.3468	2.3820	2.5729	3.0405	2.1924		3.5382	2.7770
F7	2.3820	1.3468	3.0405	2.5729	2.7770	3.5382		2.1924
F8	2.3820	1.3468	3.0405	2.5729	3.5382	2.7770	2.1924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.403	C1	C2	F7	109.403
C1	C2	F8	109.403	C2	C1	Cl3	110.403
C2	C1	F5	109.403	C2	C1	F6	109.403
Cl3	C1	F5	109.323	Cl3	C1	F6	109.323
Cl4	C2	F7	109.323	Cl4	C2	F8	109.323
F5	C1	F6	108.963	F7	C2	F8	108.963

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

using model chemistry: PBEPBE/6-311G*

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	0.262
2	C	0.262
3	Cl	0.004
4	Cl	0.004
5	F	-0.133
6	F	-0.133
7	F	-0.133
8	F	-0.133

	x	y	z
x	10.085	-0.881	0.000
y	-0.881	5.286	0.000
z	0.000	0.000	4.860

<r²>	318.662
(<r²>)^1/2	17.851

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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