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	hartrees
Energy at 0K	-1756.435795
Energy at 298.15K	-1756.437515
HF Energy	-1756.435795
Nuclear repulsion energy	702.616024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1253	1204	57.89
2	A	1237	1189	234.01
3	A	1166	1120	207.63
4	A	1054	1013	94.09
5	A	898	863	184.04
6	A	806	775	298.34
7	A	659	634	12.07
8	A	532	511	3.44
9	A	459	441	1.73
10	A	438	421	0.22
11	A	391	376	0.18
12	A	347	334	0.33
13	A	309	297	0.57
14	A	284	273	0.14
15	A	236	227	0.13
16	A	188	181	1.18
17	A	159	153	0.89
18	A	64	61	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.571	0.153	0.316
C2	-0.713	-0.532	-0.233
F3	0.455	0.255	1.646
Cl4	1.968	-0.868	-0.067
Cl5	0.759	1.760	-0.389
Cl6	-2.161	0.370	0.236
F7	-0.644	-0.621	-1.560
F8	-0.786	-1.764	0.273

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5557	1.3387	1.7723	1.7653	2.7412	2.3647	2.3490
C2	1.5557		2.3486	2.7070	2.7292	1.7690	1.3311	1.3341
F3	1.3387	2.3486		2.5460	2.5498	2.9739	3.4999	2.7385
Cl4	1.7723	2.7070	2.5460		2.9109	4.3207	3.0181	2.9152
Cl5	1.7653	2.7292	2.5498	2.9109		3.2940	3.0012	3.9049
Cl6	2.7412	1.7690	2.9739	4.3207	3.2940		2.5509	2.5392
F7	2.3647	1.3311	3.4999	3.0181	3.0012	2.5509		2.1651
F8	2.3490	1.3341	2.7385	2.9152	3.9049	2.5392	2.1651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.913	C1	C2	F7	109.754
C1	C2	F8	108.508	C2	C1	F3	108.238
C2	C1	Cl4	108.685	C2	C1	Cl5	110.376
F3	C1	Cl4	109.046	F3	C1	Cl5	109.700
Cl4	C1	Cl5	110.742	Cl6	C2	F7	109.942
Cl6	C2	F8	109.019	F7	C2	F8	108.656

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

using model chemistry: B1B95/cc-pVDZ

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	-0.001
2	C	0.326
3	F	-0.119
4	Cl	0.027
5	Cl	0.030
6	Cl	-0.013
7	F	-0.123
8	F	-0.128

	x	y	z	Total
	0.103	0.256	-0.137	0.308
CHELPG
AIM
ESP

	x	y	z
x	8.730	-1.401	-0.739
y	-1.401	8.056	-0.248
z	-0.739	-0.248	5.606

<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: B1B95/cc-pVDZ

States and conformations

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