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	hartrees
Energy at 0K	-126.401311
Energy at 298.15K	-126.403237
HF Energy	-126.401311
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1313	1198	52.58
2	A	1246	1137	168.04
3	A	1175	1072	206.51
4	A	1126	1028	83.39
5	A	961	877	182.12
6	A	848	774	230.14
7	A	649	592	12.99
8	A	535	488	8.99
9	A	465	425	3.23
10	A	447	408	4.68
11	A	401	366	5.60
12	A	357	326	1.77
13	A	322	294	0.72
14	A	296	270	0.31
15	A	249	227	0.35
16	A	207	189	2.68
17	A	169	154	1.12
18	A	73	66	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.579	0.146	0.296
C2	-0.726	-0.524	-0.225
F3	0.463	0.243	1.671
Cl4	2.020	-0.895	-0.074
Cl5	0.788	1.814	-0.379
Cl6	-2.224	0.375	0.231
F7	-0.662	-0.640	-1.590
F8	-0.806	-1.794	0.290

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5574	1.3831	1.8155	1.8116	2.8138	2.3902	2.3839
C2	1.5574		2.3659	2.7757	2.7898	1.8056	1.3713	1.3722
F3	1.3831	2.3659		2.6004	2.6029	3.0519	3.5603	2.7694
Cl4	1.8155	2.7757	2.6004		2.9918	4.4410	3.0913	2.9882
Cl5	1.8116	2.7898	2.6029	2.9918		3.3932	3.0960	4.0005
Cl6	2.8138	1.8056	3.0519	4.4410	3.3932		2.6051	2.5922
F7	2.3902	1.3713	3.5603	3.0913	3.0960	2.6051		2.2101
F8	2.3839	1.3722	2.7694	2.9882	4.0005	2.5922	2.2101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.382	C1	C2	F7	109.235
C1	C2	F8	108.757	C2	C1	F3	106.997
C2	C1	Cl4	110.530	C2	C1	Cl5	111.586
F3	C1	Cl4	108.015	F3	C1	Cl5	108.386
Cl4	C1	Cl5	111.147	Cl6	C2	F7	109.411
Cl6	C2	F8	108.546	F7	C2	F8	107.331

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

using model chemistry: HF/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	-0.219
2	C	0.277
3	F	-0.207
4	Cl	0.196
5	Cl	0.185
6	Cl	0.172
7	F	-0.204
8	F	-0.201

	x	y	z	Total
	0.179	0.880	-0.390	0.978
CHELPG
AIM
ESP

	x	y	z
x	8.453	-1.767	-0.922
y	-1.767	8.133	-0.289
z	-0.922	-0.289	5.261

<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: HF/CEP-121G

States and conformations

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