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	hartrees
Energy at 0K	-128.483312
Energy at 298.15K	-128.484659
HF Energy	-128.483312
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1145	1116	42.46
2	A	1075	1048	175.27
3	A	1024	997	168.23
4	A	974	950	77.77
5	A	833	811	177.02
6	A	749	730	258.01
7	A	586	572	11.24
8	A	484	472	6.24
9	A	418	407	2.27
10	A	399	388	1.46
11	A	359	350	1.12
12	A	321	312	0.74
13	A	289	281	0.68
14	A	265	258	0.22
15	A	223	217	0.15
16	A	186	181	1.75
17	A	151	147	0.86
18	A	62	61	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.585	0.152	0.306
C2	-0.729	-0.536	-0.229
F3	0.468	0.250	1.710
Cl4	2.058	-0.902	-0.074
Cl5	0.784	1.851	-0.387
Cl6	-2.263	0.370	0.237
F7	-0.660	-0.647	-1.626
F8	-0.805	-1.839	0.289

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5766	1.4124	1.8503	1.8458	2.8563	2.4337	2.4278
C2	1.5766		2.4106	2.8149	2.8306	1.8412	1.4031	1.4044
F3	1.4124	2.4106		2.6527	2.6573	3.1047	3.6345	2.8286
Cl4	1.8503	2.8149	2.6527		3.0488	4.5142	3.1405	3.0341
Cl5	1.8458	2.8306	2.6573	3.0488		3.4444	3.1408	4.0740
Cl6	2.8563	1.8412	3.1047	4.5142	3.4444		2.6595	2.6472
F7	2.4337	1.4031	3.6345	3.1405	3.1408	2.6595		2.2606
F8	2.4278	1.4044	2.8286	3.0341	4.0740	2.6472	2.2606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.159	C1	C2	F7	109.386
C1	C2	F8	108.930	C2	C1	F3	107.386
C2	C1	Cl4	110.199	C2	C1	Cl5	111.363
F3	C1	Cl4	108.036	F3	C1	Cl5	108.561
Cl4	C1	Cl5	111.148	Cl6	C2	F7	109.378
Cl6	C2	F8	108.554	F7	C2	F8	107.261

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

using model chemistry: B3LYP/CEP-121G

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	-0.352
2	C	0.061
3	F	-0.111
4	Cl	0.215
5	Cl	0.207
6	Cl	0.195
7	F	-0.108
8	F	-0.107

	x	y	z	Total
	0.177	0.807	-0.314	0.884
CHELPG
AIM
ESP

	x	y	z
x	9.541	-1.855	-0.987
y	-1.855	9.003	-0.311
z	-0.987	-0.311	5.937

<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/CEP-121G

States and conformations

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