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	hartrees
Energy at 0K	-1747.631423
Energy at 298.15K	-1747.632745
HF Energy	-1747.631423
Nuclear repulsion energy	682.226168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1264	1219	143.19
2	A	1228	1185	57.19
3	A	1173	1131	158.72
4	A	986	952	62.72
5	A	802	773	160.97
6	A	728	702	306.26
7	A	614	592	18.71
8	A	489	472	5.60
9	A	407	393	6.14
10	A	376	363	0.42
11	A	349	337	0.66
12	A	311	300	1.37
13	A	289	279	0.62
14	A	262	253	0.39
15	A	225	217	0.97
16	A	192	185	2.24
17	A	154	149	2.31
18	A	63	61	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.526	0.149	0.359
C2	-0.667	-0.554	-0.304
F3	0.352	0.235	1.706
Cl4	2.059	-0.865	-0.002
Cl5	0.740	1.837	-0.381
Cl6	-2.248	0.279	0.290
F7	-0.587	-0.469	-1.655
F8	-0.712	-1.860	0.086

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5356	1.3602	1.8725	1.8560	2.7780	2.3827	2.3751
C2	1.5356		2.3872	2.7600	2.7759	1.8831	1.3558	1.3631
F3	1.3602	2.3872		2.6534	2.6589	2.9601	3.5592	2.8537
Cl4	1.8725	2.7600	2.6534		3.0306	4.4655	3.1446	2.9449
Cl5	1.8560	2.7759	2.6589	3.0306		3.4360	2.9501	3.9991
Cl6	2.7780	1.8831	2.9601	4.4655	3.4360		2.6646	2.6411
F7	2.3827	1.3558	3.5592	3.1446	2.9501	2.6646		2.2314
F8	2.3751	1.3631	2.8537	2.9449	3.9991	2.6411	2.2314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.271	C1	C2	F7	110.832
C1	C2	F8	109.901	C2	C1	F3	110.902
C2	C1	Cl4	107.747	C2	C1	Cl5	109.498
F3	C1	Cl4	109.302	F3	C1	Cl5	110.577
Cl4	C1	Cl5	108.744	Cl6	C2	F7	109.630
Cl6	C2	F8	107.825	F7	C2	F8	110.307

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

using model chemistry: B3LYP/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	-0.124
2	C	0.436
3	F	-0.203
4	Cl	0.122
5	Cl	0.138
6	Cl	0.078
7	F	-0.221
8	F	-0.225

	x	y	z	Total
	0.146	-0.191	-0.081	0.253
CHELPG
AIM
ESP

	x	y	z
x	8.848	-1.890	-1.166
y	-1.890	7.669	-0.436
z	-1.166	-0.436	4.766

<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: B3LYP/3-21G

States and conformations

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