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	hartrees
Energy at 0K	-1747.521154
Energy at 298.15K	-1747.522174
HF Energy	-1747.521154
Nuclear repulsion energy	672.686649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1206	1199	143.06
2	A	1173	1166	60.57
3	A	1119	1113	145.65
4	A	917	912	56.07
5	A	743	739	156.61
6	A	674	670	322.44
7	A	588	585	19.28
8	A	466	463	6.07
9	A	382	380	7.88
10	A	350	348	1.89
11	A	326	324	1.62
12	A	294	293	0.92
13	A	273	272	0.62
14	A	247	246	0.45
15	A	212	211	0.97
16	A	184	183	1.80
17	A	146	145	2.31
18	A	59	58	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.523	0.151	0.375
C2	-0.665	-0.565	-0.320
F3	0.342	0.238	1.729
Cl4	2.092	-0.875	0.010
Cl5	0.748	1.864	-0.387
Cl6	-2.287	0.270	0.301
F7	-0.586	-0.454	-1.681
F8	-0.708	-1.888	0.058

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5516	1.3683	1.9103	1.8881	2.8131	2.4131	2.4026
C2	1.5516		2.4200	2.7941	2.8112	1.9271	1.3672	1.3763
F3	1.3683	2.4200		2.6936	2.6990	2.9914	3.6006	2.9001
Cl4	1.9103	2.7941	2.6936		3.0764	4.5356	3.1951	2.9780
Cl5	1.8881	2.8112	2.6990	3.0764		3.4969	2.9718	4.0490
Cl6	2.8131	1.9271	2.9914	4.5356	3.4969		2.7103	2.6847
F7	2.4131	1.3672	3.6006	3.1951	2.9718	2.7103		2.2565
F8	2.4026	1.3763	2.9001	2.9780	4.0490	2.6847	2.2565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.440	C1	C2	F7	111.375
C1	C2	F8	110.139	C2	C1	F3	111.797
C2	C1	Cl4	107.175	C2	C1	Cl5	109.237
F3	C1	Cl4	109.370	F3	C1	Cl5	110.948
Cl4	C1	Cl5	108.176	Cl6	C2	F7	109.540
Cl6	C2	F8	107.547	F7	C2	F8	110.669

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: BLYP/3-21G

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	-0.102
2	C	0.396
3	F	-0.161
4	Cl	0.087
5	Cl	0.110
6	Cl	0.038
7	F	-0.181
8	F	-0.187

	x	y	z	Total
	0.138	-0.394	-0.025	0.418
CHELPG
AIM
ESP

	x	y	z
x	9.619	-1.957	-1.245
y	-1.957	8.112	-0.475
z	-1.245	-0.475	5.041

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CF2ClCFCl2 (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)