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	hartrees
Energy at 0K	-1756.319989
Energy at 298.15K	-1756.321657
HF Energy	-1756.319989
Nuclear repulsion energy	695.641279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1199	1157	61.35
2	A	1169	1128	203.92
3	A	1108	1068	191.37
4	A	1030	993	84.24
5	A	880	848	182.94
6	A	792	764	296.46
7	A	643	620	11.18
8	A	524	506	3.42
9	A	450	434	1.51
10	A	430	415	0.20
11	A	386	372	0.09
12	A	347	335	0.12
13	A	310	299	0.69
14	A	285	275	0.07
15	A	239	230	0.06
16	A	197	190	0.82
17	A	161	156	0.60
18	A	69	66	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.585	0.149	0.304
C2	-0.734	-0.525	-0.220
F3	0.486	0.249	1.651
Cl4	1.978	-0.896	-0.084
Cl5	0.797	1.774	-0.385
Cl6	-2.186	0.399	0.223
F7	-0.673	-0.655	-1.558
F8	-0.825	-1.757	0.317

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5701	1.3543	1.7844	1.7789	2.7834	2.3866	2.3705
C2	1.5701		2.3636	2.7403	2.7669	1.7778	1.3458	1.3476
F3	1.3543	2.3636		2.5593	2.5636	3.0339	3.5299	2.7426
Cl4	1.7844	2.7403	2.5593		2.9355	4.3721	3.0430	2.9600
Cl5	1.7789	2.7669	2.5636	2.9355		3.3408	3.0723	3.9494
Cl6	2.7834	1.7778	3.0339	4.3721	3.3408		2.5637	2.5520
F7	2.3866	1.3458	3.5299	3.0430	3.0723	2.5637		2.1807
F8	2.3705	1.3476	2.7426	2.9600	3.9494	2.5520	2.1807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.334	C1	C2	F7	109.627
C1	C2	F8	108.425	C2	C1	F3	107.619
C2	C1	Cl4	109.385	C2	C1	Cl5	111.267
F3	C1	Cl4	108.474	F3	C1	Cl5	109.059
Cl4	C1	Cl5	110.937	Cl6	C2	F7	109.541
Cl6	C2	F8	108.692	F7	C2	F8	108.121

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

using model chemistry: B3LYP/6-31+G**

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	-0.122
2	C	0.207
3	F	-0.155
4	Cl	0.145
5	Cl	0.161
6	Cl	0.178
7	F	-0.197
8	F	-0.217

	x	y	z	Total
	0.111	0.500	-0.201	0.551
CHELPG
AIM
ESP

	x	y	z
x	10.653	-1.208	-0.616
y	-1.208	9.929	-0.237
z	-0.616	-0.237	7.652

<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/6-31+G**

States and conformations

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