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	hartrees
Energy at 0K	-1395.130481
Energy at 298.15K	-1395.132306
HF Energy	-1395.130481
Nuclear repulsion energy	608.252752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1240	1227	0.00
2	A_g	985	975	0.00
3	A_g	686	679	0.00
4	A_g	414	409	0.00
5	A_g	345	342	0.00
6	A_g	238	235	0.00
7	A_u	1196	1183	320.91
8	A_u	355	351	0.66
9	A_u	202	200	1.29
10	A_u	54	54	0.00
11	B_g	1173	1161	0.00
12	B_g	521	515	0.00
13	B_g	303	300	0.00
14	B_u	1124	1113	300.42
15	B_u	784	776	402.07
16	B_u	591	585	10.23
17	B_u	412	408	0.50
18	B_u	155	154	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.746	0.000
C2	0.233	-0.746	0.000
Cl3	-2.027	0.811	0.000
Cl4	2.027	-0.811	0.000
F5	0.233	1.361	1.092
F6	0.233	1.361	-1.092
F7	-0.233	-1.361	1.092
F8	-0.233	-1.361	-1.092

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5641	1.7945	2.7444	1.3370	1.3370	2.3735	2.3735
C2	1.5641		2.7444	1.7945	2.3735	2.3735	1.3370	1.3370
Cl3	1.7945	2.7444		4.3655	2.5693	2.5693	3.0209	3.0209
Cl4	2.7444	1.7945	4.3655		3.0209	3.0209	2.5693	2.5693
F5	1.3370	2.3735	2.5693	3.0209		2.1842	2.7614	3.5208
F6	1.3370	2.3735	2.5693	3.0209	2.1842		3.5208	2.7614
F7	2.3735	1.3370	3.0209	2.5693	2.7614	3.5208		2.1842
F8	2.3735	1.3370	3.0209	2.5693	3.5208	2.7614	2.1842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	109.409	C1	C2	F7	109.548
C1	C2	F8	109.548	C2	C1	Cl3	109.409
C2	C1	F5	109.548	C2	C1	F6	109.548
Cl3	C1	F5	109.394	Cl3	C1	F6	109.394
Cl4	C2	F7	109.394	Cl4	C2	F8	109.394
F5	C1	F6	109.533	F7	C2	F8	109.533

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.161
2	C	0.161
3	Cl	-0.123
4	Cl	-0.123
5	F	-0.019
6	F	-0.019
7	F	-0.019
8	F	-0.019

	x	y	z
x	10.325	-0.916	0.000
y	-0.916	6.443	0.000
z	0.000	0.000	6.057

<r²>	315.268
(<r²>)^1/2	17.756

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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