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	hartrees
Energy at 0K	-1395.383029
Energy at 298.15K	-1395.384884
HF Energy	-1395.383029
Nuclear repulsion energy	607.264653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1203	1188	0.00
2	A_g	978	966	0.00
3	A_g	676	668	0.00
4	A_g	416	411	0.00
5	A_g	343	338	0.00
6	A_g	239	236	0.00
7	A_u	1133	1119	361.02
8	A_u	360	355	0.18
9	A_u	215	212	1.10
10	A_u	63	63	0.14
11	B_g	1115	1102	0.00
12	B_g	519	513	0.00
13	B_g	306	303	0.00
14	B_u	1085	1072	333.32
15	B_u	793	784	393.63
16	B_u	585	577	8.55
17	B_u	413	408	0.13
18	B_u	159	157	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.752	0.000
C2	0.236	-0.752	0.000
Cl3	-2.014	0.827	0.000
Cl4	2.014	-0.827	0.000
F5	0.236	1.370	1.095
F6	0.236	1.370	-1.095
F7	-0.236	-1.370	1.095
F8	-0.236	-1.370	-1.095

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5762	1.7791	2.7485	1.3430	1.3430	2.3880	2.3880
C2	1.5762		2.7485	1.7791	2.3880	2.3880	1.3430	1.3430
Cl3	1.7791	2.7485		4.3537	2.5601	2.5601	3.0310	3.0310
Cl4	2.7485	1.7791	4.3537		3.0310	3.0310	2.5601	2.5601
F5	1.3430	2.3880	2.5601	3.0310		2.1895	2.7810	3.5395
F6	1.3430	2.3880	2.5601	3.0310	2.1895		3.5395	2.7810
F7	2.3880	1.3430	3.0310	2.5601	2.7810	3.5395		2.1895
F8	2.3880	1.3430	3.0310	2.5601	3.5395	2.7810	2.1895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	109.847	C1	C2	F7	109.516
C1	C2	F8	109.516	C2	C1	Cl3	109.847
C2	C1	F5	109.516	C2	C1	F6	109.516
Cl3	C1	F5	109.371	Cl3	C1	F6	109.371
Cl4	C2	F7	109.371	Cl4	C2	F8	109.371
F5	C1	F6	109.203	F7	C2	F8	109.203

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

using model chemistry: PBEPBE/Def2TZVPP

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	0.265
2	C	0.265
3	Cl	-0.059
4	Cl	-0.059
5	F	-0.103
6	F	-0.103
7	F	-0.103
8	F	-0.103

	x	y	z
x	10.506	-0.797	0.000
y	-0.797	6.888	0.000
z	0.000	0.000	6.556

<r²>	316.445
(<r²>)^1/2	17.789

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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